NPASS Natural Product

Natural Product: NPC32222

Natural Product ID:	NPC32222
Common Name:	Cedrol
IUPAC Name:
Synonyms:	Cedrol
Molecular Formula:	C15H26O
Standard InCHIKey:	SVURIXNDRWRAFU-OGMFBOKVSA-N
Standard InCHI:	InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
Canonical SMILES:	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	UNPD*
NPO29650	Lysimachiae herba	NA	NA	NA	TCMSP*
NPO11488	Alstonia muelleriana	Species	Apocynaceae	Eukaryota	UNPD*
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	TM-MC*
NPO210	Uvaria calamistrata	Species	Annonaceae	Eukaryota	UNPD*
NPO11248	Tachigalia paniculata	NA	NA	NA	UNPD*
NPO25454	Plumbago europaea	Species	Plumbaginaceae	Eukaryota	UNPD*
NPO29654	Lonicerae japonicae flos	NA	NA	NA	TCMSP*
NPO2515	Hardwickia binata	Species	Fabaceae	Eukaryota	UNPD*
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	TM-MC*
NPO14252	Erythrophyllum delesserioides	Species	Kallymeniaceae	Eukaryota	UNPD*
NPO17831	Millettia racemosa	Species	Fabaceae	Eukaryota	UNPD*
NPO29707	Benzoinum	NA	NA	NA	TCMSP*
NPO13963	Laurencia elata	Species	Rhodomelaceae	Eukaryota	UNPD*
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota	TM-MC*
NPO15358	Entandrophragma cylindricum	Species	Meliaceae	Eukaryota	UNPD*
NPO26257	Celastri orbiculati fructus	NA	NA	NA	TCMSP*
NPO3041	Rhizome of whiteback greenbrier	NA	NA	NA	TCMSP*
NPO18847	Copaifera paupera	Species	Fabaceae	Eukaryota	UNPD*
NPO18046	Mosla chinensis	Species	Lamiaceae	Eukaryota	TM-MC*
NPO17275	Chamaemelum scariosum	Species	Asteraceae	Eukaryota	UNPD*
NPO29639	Aucklandiae radix	NA	NA	NA	TCMSP*
NPO23877	Leonuri fructus	NA	NA	NA	TCMSP*
NPO10712	Tabebuia rosea	Species	Bignoniaceae	Eukaryota	UNPD*
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	TM-MC*
NPO17385	Magnolia acuminata	Species	Magnoliaceae	Eukaryota	UNPD*
NPO4843	Gossampiniflos	NA	NA	NA	TCMSP*
NPO4054	Lysimachiae foenigraeci herba	NA	NA	NA	TCMSP*
NPO12282	Parmelia conspersa	Species	Parmeliaceae	Eukaryota	UNPD*
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	TM-MC*
NPO3746	Hesperocyparis nevadensis	Species	Cupressaceae	Eukaryota	UNPD*
NPO20949	Paederiae scandentis herba	NA	NA	NA	TCMSP*
NPO29637	Phragmitis rhizoma	NA	NA	NA	TCMSP*
NPO731	Panax schinseng	Species	Araliaceae	Eukaryota	UNPD*
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	TM-MC*
NPO18707	Allium ursinum	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO29705	Viticis fructus	Species	Curculionidae	Eukaryota	TCMSP*
NPO29614	Polygonati odorati rhizoma	NA	NA	NA	TCMSP*
NPO12801	Aglaia meridionalis	Species	Meliaceae	Eukaryota	UNPD*
NPO4640	Portulaca oleracea	Species	Portulacaceae	Eukaryota	TM-MC*
NPO18377	Chaetomium retardatum	Species	Chaetomiaceae	Eukaryota	UNPD*
NPO1338	Arcangelisia gusanlung	Species	Menispermaceae	Eukaryota	UNPD*
NPO14980	Scrophularia nodosa	Species	Scrophulariaceae	Eukaryota	TCMSP*
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	TCMSP*
NPO11603	Lathyrus macrorrhizus	Species	Fabaceae	Eukaryota	UNPD*
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	TM-MC*
NPO18805	Tripolium pannonicum	Species	Asteraceae	Eukaryota	UNPD*
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	UNPD*
NPO29622	Siphonostegiae herba	NA	NA	NA	TCMSP*
NPO14121	Panax ginseng	Species	Araliaceae	Eukaryota	TCMSP*
NPO5189	Glycine tomentella	Species	Fabaceae	Eukaryota	UNPD*
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	TM-MC*
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	TCM_Taiwan*
NPO13166	Nicotiana undulata	Species	Solanaceae	Eukaryota	UNPD*
NPO9002	Herba patriniae	NA	NA	NA	TCMSP*
NPO29374	Anisi stellati fructus	NA	NA	NA	TCMSP*
NPO16039	Scutellaria barbata	Species	Lamiaceae	Eukaryota	TM-MC*
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	TCM_Taiwan*
NPO7807	Polyporus sulphureus	Species	Polyporaceae	Eukaryota	UNPD*
NPO27197	Platycladi semen	NA	NA	NA	TCMSP*
NPO29629	Viticis negundo folium	Species	Curculionidae	Eukaryota	TCMSP*
NPO28430	Biota orientalis	NA	NA	NA	TCMID*
NPO30115	Aucklandia lappa	NA	NA	NA	TCM_Taiwan*
NPO18242	Gleichenia glauca	Species	Gleicheniaceae	Eukaryota	UNPD*
NPO4737	Arum ternatum thunb	Species	Araceae	Eukaryota	TCMSP*
NPO18840	Platycladi cacumen	NA	NA	NA	TCMSP*
NPO15608	Tanacetum santolina	Species	Asteraceae	Eukaryota	UNPD*
NPO17596	Ficus maxima	Species	Moraceae	Eukaryota	UNPD*
NPO11677	Lactobacillus acidophilus	Species	Lactobacillaceae	Bacteria	UNPD*
NPO29545	Capsici fructus	NA	NA	NA	TCMSP*
NPO29580	Tamaricis cacumen	NA	NA	NA	TCMSP*
NPO11642	Dacrydium cupressinum	Species	Podocarpaceae	Eukaryota	UNPD*
NPO9535	Cortinarius basirubescens	Species	Cortinariaceae	Eukaryota	UNPD*
NPO18575	Ochtodes crockeri	Species	Rhizophyllidaceae	Eukaryota	UNPD*
NPO29679	Lycii fructus	NA	NA	NA	TCMSP*
NPO18105	Fructus ligustri lucidi	NA	NA	NA	TCMSP*
NPO21302	Cladosporium herbarum	Species	Cladosporiaceae	Eukaryota	UNPD*
NPO16293	Babylonia japonica	Species	Buccinidae	Eukaryota	UNPD*
NPO29598	Mahoniae caulis	NA	NA	NA	TCMSP*
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	TM-MC*
NPO13568	Hypoxylon rubiginosum	Species	Xylariaceae	Eukaryota	UNPD*
NPO16299	Nitraria sibirica	Species	Nitrariaceae	Eukaryota	UNPD*
NPO29628	Rubi fructus	NA	NA	NA	TCMSP*
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	TM-MC*
NPO25305	Penicillium toxicarium	Species	Aspergillaceae	Eukaryota	UNPD*
NPO18173	Pyrocystis lunula	Species	Pyrocystaceae	Eukaryota	UNPD*
NPO10766	Alpiniae officinarum rhizome	NA	NA	NA	TCMSP*
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	TM-MC*
NPO12684	Trigonella grandiflora	Species	Fabaceae	Eukaryota	UNPD*
NPO9604	Amycolatopsis lurida	Species	Pseudonocardiaceae	Bacteria	UNPD*
NPO2179	Paeoniae radix alba	NA	NA	NA	TCMSP*
NPO18007	Agrimonia pilosa	Species	Rosaceae	Eukaryota	TM-MC*
NPO19057	Lentinellus omphalodes	Species	Auriscalpiaceae	Eukaryota	UNPD*
NPO18983	Cleidion brevipetiolatum	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO914	Smilacis glabrae rhixoma	NA	NA	NA	TCMSP*
NPO29010	Amomum compactum	Species	Zingiberaceae	Eukaryota	TM-MC*
NPO10540	Passiflora incarnata	Species	Passifloraceae	Eukaryota	UNPD*
NPO16966	Leptospermum scoparium	Species	Myrtaceae	Eukaryota	UNPD*
NPO12562	Gnaphalii affinis herba	NA	NA	NA	TCMSP*
NPO12322	Amomum krervanh	Species	Zingiberaceae	Eukaryota	TM-MC*
NPO13074	Centaurea melitensis	Species	Asteraceae	Eukaryota	UNPD*
NPO17190	Senecio erraticus	Species	Asteraceae	Eukaryota	UNPD*
NPO12208	Allii fistulost bulbus	NA	NA	NA	TCMSP*
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	TM-MC*
NPO21854	Pterocladiella tenuis	Species	Gelidiaceae	Eukaryota	UNPD*
NPO7998	Senecio paludaffinis	Species	Asteraceae	Eukaryota	UNPD*
NPO29539	Sedi herba	NA	NA	NA	TCMSP*
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	TM-MC*
NPO21938	Coleus carnosus	Species	Lamiaceae	Eukaryota	UNPD*
NPO11624	Didymella lethalis	Species	Didymellaceae	Eukaryota	UNPD*
NPO19092	Morindae officinalis radix	NA	NA	NA	TCMSP*
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	TM-MC*
NPO19635	Coreopsis nodosa	Species	Asteraceae	Eukaryota	UNPD*
NPO17709	Timonius kaniensis	Species	Rubiaceae	Eukaryota	UNPD*
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	UNPD*
NPO29588	Ganoderma	Genus	Ganodermataceae	Eukaryota	TCMSP*
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	TM-MC*
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	TM-MC*
NPO17839	Machaerium mucronulatum	Species	Dolichopodidae	Eukaryota	UNPD*
NPO18520	Helipterum strictum	Species	Asteraceae	Eukaryota	UNPD*
NPO17802	Simmondsia chinensis	Species	Simmondsiaceae	Eukaryota	UNPD*
NPO8455	Magnolia officinalis rehd et wils	Species	Magnoliaceae	Eukaryota	TCMSP*
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	TM-MC*
NPO17718	Artemisia schmidtiana	Species	Asteraceae	Eukaryota	UNPD*
NPO17068	Talaromyces wortmanni	Species	Trichocomaceae	Eukaryota	UNPD*
NPO18792	Crotalaria lechnaultii	Species	Fabaceae	Eukaryota	UNPD*
NPO18061	Anacystis cyanea	NA	NA	NA	UNPD*
NPO27288	Citrus maxima	Species	Rutaceae	Eukaryota	TM-MC*
NPO16829	Dunaliella acidophila	Species	Dunaliellaceae	Eukaryota	UNPD*
NPO12072	Escallonia philippiana	Species	Escalloniaceae	Eukaryota	UNPD*
NPO22666	Haematococcus lacustris	Species	Haematococcaceae	Eukaryota	UNPD*
NPO22033	Cnidium officinale	Species	Apiaceae	Eukaryota	TM-MC*
NPO5764	Ophioglossum vulgatum	Species	Ophioglossaceae	Eukaryota	UNPD*
NPO10729	Lechevalieria aerocolonigenes	Species	Pseudonocardiaceae	Bacteria	UNPD*
NPO14354	Artemisia cina	Species	Asteraceae	Eukaryota	UNPD*
NPO18117	Dalbergia odorifera	Species	Fabaceae	Eukaryota	TM-MC*
NPO7174	Callyspongia truncata	Species	Callyspongiidae	Eukaryota	UNPD*
NPO18306	Juniperus thurifera	Species	Cupressaceae	Eukaryota	UNPD*
NPO12001	Saccharomyces pastori	Species	Saccharomycetaceae	Eukaryota	UNPD*
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	TM-MC*
NPO19189	Brickellia pendula	Species	Asteraceae	Eukaryota	UNPD*
NPO13594	Hippocratea indica	Species	Celastraceae	Eukaryota	UNPD*
NPO3050	Cladonia pseudodidyma	Species	Cladoniaceae	Eukaryota	UNPD*
NPO21355	Elsholtzia ciliata	Species	Lamiaceae	Eukaryota	TM-MC*
NPO19127	Citrus tankan	Species	Rutaceae	Eukaryota	UNPD*
NPO14255	Streptomyces flocculus	Species	Streptomycetaceae	Bacteria	UNPD*

Biological Activity

Activity Type	# Activity
GI50	58
IC50	1
Others	6
Potency	16

Activity Type	# Activity
Cell Line	58
Individual Protein	6
Organism	4
Others	13

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT368	Cell Line	SN12C	Homo sapiens	GI50		26668.59	nM	PubChem BioAssay data set
NPT367	Cell Line	MDA-N	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50		18663.8	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50		72610.6	nM	PubChem BioAssay data set
NPT90	Cell Line	DU-145	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		42657.95	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50		92044.96	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		35481.34	nM	PubChem BioAssay data set
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50		10000	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT385	Cell Line	SR	Homo sapiens	GI50		18663.8	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		45919.8	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50		48083.93	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		24603.68	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT457	Cell Line	BT-549	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		52239.62	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50		42657.95	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		59292.53	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT306	Cell Line	PC-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		18197.01	nM	PubChem BioAssay data set
NPT396	Cell Line	T47D	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50		92469.82	nM	PubChem BioAssay data set
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50		34276.78	nM	PubChem BioAssay data set
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		77090.35	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		59979.11	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50		35974.93	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT835	Organism	Gloeophyllum trabeum	Gloeophyllum trabeum	Inhibition	=	68.3	%	22129092
NPT2549	Organism	Laetiporus sulphureus	Laetiporus sulphureus	Inhibition	=	100	%	22129092
NPT834	Organism	Trametes versicolor	Trametes versicolor	Inhibition	=	74.8	%	22129092
NPT2550	Organism	Lenzites betulinus	Lenzites betulinus	Inhibition	=	95.5	%	22129092
NPT526	Individual Protein	Alpha-glucosidase MAL62	Saccharomyces cerevisiae	IC50	=	130000000	nM	23455027
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	107.72	%	23571415
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	119.82	%	23571415
NPT2	Others	Unspecified		Potency		54873.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		68450.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		61006.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		54371.9	nM	PubChem BioAssay data set
NPT162	Individual Protein	Heat shock protein beta-1	Homo sapiens	Potency		61569.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		61569.4	nM	PubChem BioAssay data set
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency		54873.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		48906.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		38847.7	nM	PubChem BioAssay data set
NPT74	Individual Protein	Proto-oncogene c-JUN	Homo sapiens	Potency		21845.6	nM	PubChem BioAssay data set

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC32222 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	172
0.1-0.2	4025
0.2-0.3	14335
0.3-0.4	5202
0.4-0.5	4638
0.5-0.6	1934
0.6-0.7	486
0.7-0.8	90
0.8-0.85	5
0.85-0.9	1
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC202146
0.8545	High Similarity	NPC3025
0.8421	Intermediate Similarity	NPC95958
0.8136	Intermediate Similarity	NPC95804
0.8136	Intermediate Similarity	NPC185547
0.807	Intermediate Similarity	NPC150713
0.807	Intermediate Similarity	NPC29976
0.7931	Intermediate Similarity	NPC162685
0.7885	Intermediate Similarity	NPC14552
0.7719	Intermediate Similarity	NPC178223
0.7719	Intermediate Similarity	NPC89069
0.7719	Intermediate Similarity	NPC277917
0.7719	Intermediate Similarity	NPC166894
0.7719	Intermediate Similarity	NPC283655
0.7705	Intermediate Similarity	NPC209686
0.7705	Intermediate Similarity	NPC249078
0.7705	Intermediate Similarity	NPC236099
0.7679	Intermediate Similarity	NPC36002
0.7679	Intermediate Similarity	NPC102336
0.7593	Intermediate Similarity	NPC127997
0.7593	Intermediate Similarity	NPC95969
0.7593	Intermediate Similarity	NPC316035
0.7544	Intermediate Similarity	NPC53209
0.7541	Intermediate Similarity	NPC148174
0.7541	Intermediate Similarity	NPC147524
0.7541	Intermediate Similarity	NPC218585
0.7541	Intermediate Similarity	NPC71460
0.75	Intermediate Similarity	NPC48079
0.746	Intermediate Similarity	NPC474380
0.746	Intermediate Similarity	NPC41577
0.746	Intermediate Similarity	NPC473276
0.7458	Intermediate Similarity	NPC236588
0.7458	Intermediate Similarity	NPC135438
0.7419	Intermediate Similarity	NPC114891
0.7414	Intermediate Similarity	NPC471269
0.7385	Intermediate Similarity	NPC472741
0.7385	Intermediate Similarity	NPC474756
0.7377	Intermediate Similarity	NPC84218
0.7358	Intermediate Similarity	NPC77550
0.7358	Intermediate Similarity	NPC108441
0.7344	Intermediate Similarity	NPC142712
0.7333	Intermediate Similarity	NPC476735
0.7302	Intermediate Similarity	NPC69149
0.7302	Intermediate Similarity	NPC128608
0.7273	Intermediate Similarity	NPC241085
0.7273	Intermediate Similarity	NPC107919
0.7273	Intermediate Similarity	NPC299948
0.7273	Intermediate Similarity	NPC294858
0.7273	Intermediate Similarity	NPC470830
0.7273	Intermediate Similarity	NPC66407
0.7273	Intermediate Similarity	NPC129829
0.7273	Intermediate Similarity	NPC254037
0.7231	Intermediate Similarity	NPC74885
0.7231	Intermediate Similarity	NPC63190
0.7231	Intermediate Similarity	NPC308522
0.7231	Intermediate Similarity	NPC473230
0.7231	Intermediate Similarity	NPC475884
0.7188	Intermediate Similarity	NPC472946
0.7188	Intermediate Similarity	NPC475943
0.7188	Intermediate Similarity	NPC190827
0.7188	Intermediate Similarity	NPC243469
0.7164	Intermediate Similarity	NPC282454
0.7164	Intermediate Similarity	NPC192192
0.7164	Intermediate Similarity	NPC231945
0.7077	Intermediate Similarity	NPC44122
0.7059	Intermediate Similarity	NPC195530
0.7059	Intermediate Similarity	NPC1340
0.7059	Intermediate Similarity	NPC157777
0.7059	Intermediate Similarity	NPC473279
0.7059	Intermediate Similarity	NPC470071
0.7059	Intermediate Similarity	NPC157422
0.7059	Intermediate Similarity	NPC100586
0.7059	Intermediate Similarity	NPC8004
0.7059	Intermediate Similarity	NPC127283
0.7059	Intermediate Similarity	NPC109457
0.7059	Intermediate Similarity	NPC187471
0.7059	Intermediate Similarity	NPC131506
0.7059	Intermediate Similarity	NPC252182
0.7059	Intermediate Similarity	NPC127094
0.7049	Intermediate Similarity	NPC189290
0.7049	Intermediate Similarity	NPC474769
0.7031	Intermediate Similarity	NPC159654
0.7031	Intermediate Similarity	NPC118937
0.7031	Intermediate Similarity	NPC167995
0.7031	Intermediate Similarity	NPC219940
0.7031	Intermediate Similarity	NPC281540
0.7015	Intermediate Similarity	NPC196197
0.7015	Intermediate Similarity	NPC477820
0.7	Intermediate Similarity	NPC139765
0.7	Intermediate Similarity	NPC91387
0.7	Intermediate Similarity	NPC231680
0.7	Intermediate Similarity	NPC39068
0.7	Intermediate Similarity	NPC270306
0.7	Intermediate Similarity	NPC264779
0.7	Intermediate Similarity	NPC476424
0.7	Intermediate Similarity	NPC131584
0.7	Intermediate Similarity	NPC155441
0.6957	Remote Similarity	NPC473238
0.6957	Remote Similarity	NPC153719
0.6957	Remote Similarity	NPC472341
0.6912	Remote Similarity	NPC63588
0.6912	Remote Similarity	NPC232925
0.6912	Remote Similarity	NPC251201
0.6909	Remote Similarity	NPC84030
0.6909	Remote Similarity	NPC223468
0.6909	Remote Similarity	NPC287550
0.6909	Remote Similarity	NPC198540
0.6909	Remote Similarity	NPC176309
0.6909	Remote Similarity	NPC147343
0.6866	Remote Similarity	NPC473225
0.6857	Remote Similarity	NPC192501
0.6857	Remote Similarity	NPC477508
0.6857	Remote Similarity	NPC475458
0.6857	Remote Similarity	NPC228994
0.6857	Remote Similarity	NPC10476
0.6857	Remote Similarity	NPC304499
0.6849	Remote Similarity	NPC269333
0.6849	Remote Similarity	NPC329871
0.6833	Remote Similarity	NPC45387
0.6833	Remote Similarity	NPC300189
0.6825	Remote Similarity	NPC135648
0.6812	Remote Similarity	NPC111234
0.6812	Remote Similarity	NPC478103
0.6806	Remote Similarity	NPC11907
0.6806	Remote Similarity	NPC474574
0.6806	Remote Similarity	NPC133596
0.6806	Remote Similarity	NPC64081
0.6774	Remote Similarity	NPC475515
0.6774	Remote Similarity	NPC215671
0.6774	Remote Similarity	NPC47663
0.6774	Remote Similarity	NPC87296
0.6761	Remote Similarity	NPC243027
0.6761	Remote Similarity	NPC317242
0.6761	Remote Similarity	NPC186851
0.6761	Remote Similarity	NPC3403
0.6761	Remote Similarity	NPC196136
0.6761	Remote Similarity	NPC158208
0.6724	Remote Similarity	NPC274182
0.6721	Remote Similarity	NPC179024
0.6719	Remote Similarity	NPC15152
0.6719	Remote Similarity	NPC83088
0.6714	Remote Similarity	NPC232112
0.6714	Remote Similarity	NPC470610
0.6714	Remote Similarity	NPC201373
0.6667	Remote Similarity	NPC45296
0.6667	Remote Similarity	NPC475728
0.6667	Remote Similarity	NPC300442
0.6667	Remote Similarity	NPC91573
0.6667	Remote Similarity	NPC163597
0.6667	Remote Similarity	NPC144891
0.6667	Remote Similarity	NPC64123
0.6667	Remote Similarity	NPC230047
0.6667	Remote Similarity	NPC470145
0.6667	Remote Similarity	NPC260116
0.6667	Remote Similarity	NPC80463
0.6667	Remote Similarity	NPC19311
0.6622	Remote Similarity	NPC81074
0.6622	Remote Similarity	NPC477282
0.662	Remote Similarity	NPC192638
0.662	Remote Similarity	NPC145552
0.662	Remote Similarity	NPC48795
0.662	Remote Similarity	NPC25511
0.662	Remote Similarity	NPC254509
0.662	Remote Similarity	NPC62657
0.662	Remote Similarity	NPC49168
0.662	Remote Similarity	NPC478130
0.662	Remote Similarity	NPC5046
0.662	Remote Similarity	NPC196358
0.6615	Remote Similarity	NPC292419
0.6615	Remote Similarity	NPC290791
0.6613	Remote Similarity	NPC291147
0.66	Remote Similarity	NPC328441
0.6575	Remote Similarity	NPC23884
0.6575	Remote Similarity	NPC212453
0.6575	Remote Similarity	NPC185915
0.6575	Remote Similarity	NPC128951
0.6575	Remote Similarity	NPC192046
0.6575	Remote Similarity	NPC477227
0.6575	Remote Similarity	NPC475031
0.6575	Remote Similarity	NPC476233
0.6575	Remote Similarity	NPC105208
0.6575	Remote Similarity	NPC302578
0.6571	Remote Similarity	NPC320549
0.6571	Remote Similarity	NPC58057
0.6571	Remote Similarity	NPC156277
0.6571	Remote Similarity	NPC89310
0.6571	Remote Similarity	NPC151018
0.6567	Remote Similarity	NPC42060
0.6567	Remote Similarity	NPC477931
0.6567	Remote Similarity	NPC268736
0.6545	Remote Similarity	NPC313795
0.6533	Remote Similarity	NPC66766
0.6533	Remote Similarity	NPC117137
0.6528	Remote Similarity	NPC178383
0.6528	Remote Similarity	NPC118508
0.6528	Remote Similarity	NPC212733
0.6528	Remote Similarity	NPC97534
0.6528	Remote Similarity	NPC195155
0.6528	Remote Similarity	NPC174964
0.6528	Remote Similarity	NPC121744

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC32222 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	297
0.1-0.2	4790
0.2-0.3	3041
0.3-0.4	564
0.4-0.5	308
0.5-0.6	114
0.6-0.7	42
0.7-0.8	5
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7358	Intermediate Similarity	NPD386	Approved
0.7358	Intermediate Similarity	NPD388	Approved
0.7273	Intermediate Similarity	NPD4267	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD5361	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD5360	Phase 3
0.6923	Remote Similarity	NPD3171	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD4787	Phase 1
0.6909	Remote Similarity	NPD384	Approved
0.6909	Remote Similarity	NPD385	Approved
0.6812	Remote Similarity	NPD4758	Discontinued
0.6571	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD4243	Approved
0.6567	Remote Similarity	NPD4224	Phase 2
0.6522	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD6117	Approved
0.6429	Remote Similarity	NPD4789	Approved
0.6389	Remote Similarity	NPD4785	Approved
0.6389	Remote Similarity	NPD4784	Approved
0.6389	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6377	Remote Similarity	NPD6705	Phase 1
0.6364	Remote Similarity	NPD367	Approved
0.6351	Remote Similarity	NPD6116	Phase 1
0.6338	Remote Similarity	NPD6081	Approved
0.6316	Remote Similarity	NPD7525	Registered
0.6301	Remote Similarity	NPD3703	Phase 2
0.6301	Remote Similarity	NPD7339	Approved
0.6301	Remote Similarity	NPD4190	Phase 3
0.6301	Remote Similarity	NPD5275	Approved
0.6301	Remote Similarity	NPD6942	Approved
0.6301	Remote Similarity	NPD3702	Approved
0.6286	Remote Similarity	NPD3698	Phase 2
0.6267	Remote Similarity	NPD6118	Approved
0.6267	Remote Similarity	NPD5364	Discontinued
0.6267	Remote Similarity	NPD6697	Approved
0.6267	Remote Similarity	NPD6114	Approved
0.6267	Remote Similarity	NPD6115	Approved
0.6197	Remote Similarity	NPD4244	Approved
0.6197	Remote Similarity	NPD4245	Approved
0.619	Remote Similarity	NPD586	Phase 1
0.6104	Remote Similarity	NPD6928	Phase 2
0.6104	Remote Similarity	NPD4748	Discontinued
0.6034	Remote Similarity	NPD343	Approved
0.6034	Remote Similarity	NPD345	Approved
0.6034	Remote Similarity	NPD344	Approved
0.6	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.5974	Remote Similarity	NPD4195	Approved
0.5946	Remote Similarity	NPD6924	Approved
0.5946	Remote Similarity	NPD6926	Approved
0.5844	Remote Similarity	NPD3671	Phase 1
0.5823	Remote Similarity	NPD4692	Approved
0.5823	Remote Similarity	NPD4139	Approved
0.5797	Remote Similarity	NPD371	Approved
0.5789	Remote Similarity	NPD6933	Approved
0.575	Remote Similarity	NPD4221	Approved
0.575	Remote Similarity	NPD4223	Phase 3
0.5732	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.5679	Remote Similarity	NPD4788	Approved
0.5676	Remote Similarity	NPD7152	Approved
0.5676	Remote Similarity	NPD7151	Approved
0.5676	Remote Similarity	NPD7150	Approved
0.5641	Remote Similarity	NPD3617	Approved
0.5625	Remote Similarity	NPD615	Clinical (unspecified phase)
0.5616	Remote Similarity	NPD6922	Approved
0.5616	Remote Similarity	NPD6923	Approved
0.561	Remote Similarity	NPD4197	Approved
0.561	Remote Similarity	NPD4786	Approved

Structure

External Identifiers

PubChem CID	65575
ChEMBL	CHEMBL1974890
ZINC

Physicochemical Properties

Molecular Weight:	222.20
ALogP:	1.3573
MLogP:	3
XLogP:	5.176
# Rotatable Bonds:	5
Polar Surface Area:	20.23
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	16

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Structure MOL file
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