Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Inhibition | = | 52 | % | 11087575 | |
NPT3942 | Protein Family | Peroxisome proliferator-activated receptor | Homo sapiens | EC50 | = | 19100 | nM | 10.6019/CHEMBL1201861 |
NPT2 | Others | Unspecified | Activity | = | 75 | % | 19902967 | |
NPT2 | Others | Unspecified | GI | = | 52 | % | 18993063 |
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 NPC471022 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.9062 | High Similarity | NPC471023 |
0.8358 | Intermediate Similarity | NPC235311 |
0.8358 | Intermediate Similarity | NPC253468 |
0.8209 | Intermediate Similarity | NPC77891 |
0.8 | Intermediate Similarity | NPC245650 |
0.7812 | Intermediate Similarity | NPC246519 |
0.7812 | Intermediate Similarity | NPC269800 |
0.7812 | Intermediate Similarity | NPC184014 |
0.7812 | Intermediate Similarity | NPC14234 |
0.7812 | Intermediate Similarity | NPC132669 |
0.7812 | Intermediate Similarity | NPC44193 |
0.7761 | Intermediate Similarity | NPC74617 |
0.7761 | Intermediate Similarity | NPC150505 |
0.7647 | Intermediate Similarity | NPC6795 |
0.7606 | Intermediate Similarity | NPC315141 |
0.7606 | Intermediate Similarity | NPC129995 |
0.7536 | Intermediate Similarity | NPC273614 |
0.75 | Intermediate Similarity | NPC312826 |
0.7467 | Intermediate Similarity | NPC314678 |
0.7465 | Intermediate Similarity | NPC477525 |
0.7143 | Intermediate Similarity | NPC130807 |
0.7125 | Intermediate Similarity | NPC314854 |
0.7125 | Intermediate Similarity | NPC313911 |
0.7123 | Intermediate Similarity | NPC187315 |
0.7121 | Intermediate Similarity | NPC303672 |
0.7077 | Intermediate Similarity | NPC304223 |
0.7077 | Intermediate Similarity | NPC54542 |
0.7077 | Intermediate Similarity | NPC145032 |
0.7077 | Intermediate Similarity | NPC267340 |
0.7077 | Intermediate Similarity | NPC243539 |
0.7 | Intermediate Similarity | NPC175614 |
0.697 | Remote Similarity | NPC195986 |
0.6923 | Remote Similarity | NPC267692 |
0.6923 | Remote Similarity | NPC307435 |
0.6912 | Remote Similarity | NPC273023 |
0.6912 | Remote Similarity | NPC471991 |
0.6912 | Remote Similarity | NPC242930 |
0.6912 | Remote Similarity | NPC297020 |
0.6912 | Remote Similarity | NPC471992 |
0.6866 | Remote Similarity | NPC119655 |
0.6842 | Remote Similarity | NPC103712 |
0.6842 | Remote Similarity | NPC291196 |
0.6812 | Remote Similarity | NPC306420 |
0.6812 | Remote Similarity | NPC104138 |
0.6812 | Remote Similarity | NPC324224 |
0.6812 | Remote Similarity | NPC472808 |
0.6812 | Remote Similarity | NPC261158 |
0.6812 | Remote Similarity | NPC24216 |
0.6806 | Remote Similarity | NPC29468 |
0.6765 | Remote Similarity | NPC163912 |
0.6765 | Remote Similarity | NPC167759 |
0.6765 | Remote Similarity | NPC305288 |
0.6765 | Remote Similarity | NPC56028 |
0.6714 | Remote Similarity | NPC71755 |
0.6712 | Remote Similarity | NPC477106 |
0.6711 | Remote Similarity | NPC249713 |
0.6709 | Remote Similarity | NPC288086 |
0.6703 | Remote Similarity | NPC233273 |
0.6703 | Remote Similarity | NPC205546 |
0.6703 | Remote Similarity | NPC50902 |
0.662 | Remote Similarity | NPC321030 |
0.6571 | Remote Similarity | NPC477049 |
0.6548 | Remote Similarity | NPC277341 |
0.6548 | Remote Similarity | NPC226982 |
0.6528 | Remote Similarity | NPC329003 |
0.6528 | Remote Similarity | NPC325550 |
0.6528 | Remote Similarity | NPC326524 |
0.6522 | Remote Similarity | NPC189764 |
0.6522 | Remote Similarity | NPC300121 |
0.6522 | Remote Similarity | NPC123669 |
0.6512 | Remote Similarity | NPC475975 |
0.6479 | Remote Similarity | NPC268185 |
0.6447 | Remote Similarity | NPC146811 |
0.6429 | Remote Similarity | NPC472433 |
0.6429 | Remote Similarity | NPC317899 |
0.6418 | Remote Similarity | NPC328784 |
0.6418 | Remote Similarity | NPC291437 |
0.6418 | Remote Similarity | NPC225974 |
0.6418 | Remote Similarity | NPC288381 |
0.6418 | Remote Similarity | NPC20934 |
0.641 | Remote Similarity | NPC143396 |
0.641 | Remote Similarity | NPC280065 |
0.641 | Remote Similarity | NPC236208 |
0.641 | Remote Similarity | NPC45060 |
0.6389 | Remote Similarity | NPC325734 |
0.6351 | Remote Similarity | NPC26810 |
0.6324 | Remote Similarity | NPC59408 |
0.6324 | Remote Similarity | NPC71053 |
0.6316 | Remote Similarity | NPC7940 |
0.6301 | Remote Similarity | NPC322186 |
0.6286 | Remote Similarity | NPC13011 |
0.6286 | Remote Similarity | NPC124382 |
0.6269 | Remote Similarity | NPC267110 |
0.6267 | Remote Similarity | NPC182758 |
0.6267 | Remote Similarity | NPC55068 |
0.625 | Remote Similarity | NPC316185 |
0.625 | Remote Similarity | NPC95863 |
0.625 | Remote Similarity | NPC472445 |
0.622 | Remote Similarity | NPC476924 |
0.6207 | Remote Similarity | NPC228638 |
0.6197 | Remote Similarity | NPC471239 |
0.6176 | Remote Similarity | NPC474460 |
0.617 | Remote Similarity | NPC469739 |
0.6164 | Remote Similarity | NPC223679 |
0.6163 | Remote Similarity | NPC82799 |
0.6154 | Remote Similarity | NPC106613 |
0.6145 | Remote Similarity | NPC263266 |
0.6143 | Remote Similarity | NPC61177 |
0.6143 | Remote Similarity | NPC217188 |
0.6133 | Remote Similarity | NPC324077 |
0.6133 | Remote Similarity | NPC55376 |
0.6125 | Remote Similarity | NPC476037 |
0.6111 | Remote Similarity | NPC472614 |
0.6098 | Remote Similarity | NPC315843 |
0.6098 | Remote Similarity | NPC227396 |
0.6092 | Remote Similarity | NPC469838 |
0.6092 | Remote Similarity | NPC469833 |
0.6087 | Remote Similarity | NPC43053 |
0.6081 | Remote Similarity | NPC318306 |
0.6081 | Remote Similarity | NPC322002 |
0.6081 | Remote Similarity | NPC97570 |
0.6056 | Remote Similarity | NPC110732 |
0.6056 | Remote Similarity | NPC474127 |
0.6056 | Remote Similarity | NPC189677 |
0.6053 | Remote Similarity | NPC473737 |
0.6053 | Remote Similarity | NPC316674 |
0.6049 | Remote Similarity | NPC293114 |
0.6049 | Remote Similarity | NPC67076 |
0.6049 | Remote Similarity | NPC319163 |
0.6027 | Remote Similarity | NPC135863 |
0.6027 | Remote Similarity | NPC44542 |
0.6027 | Remote Similarity | NPC129150 |
0.6024 | Remote Similarity | NPC217095 |
0.6024 | Remote Similarity | NPC260396 |
0.6024 | Remote Similarity | NPC264417 |
0.602 | Remote Similarity | NPC313234 |
0.602 | Remote Similarity | NPC175531 |
0.6 | Remote Similarity | NPC327112 |
0.5976 | Remote Similarity | NPC316851 |
0.5976 | Remote Similarity | NPC215745 |
0.5976 | Remote Similarity | NPC284006 |
0.5976 | Remote Similarity | NPC12815 |
0.5976 | Remote Similarity | NPC329890 |
0.5976 | Remote Similarity | NPC238948 |
0.5955 | Remote Similarity | NPC161670 |
0.5952 | Remote Similarity | NPC203277 |
0.5949 | Remote Similarity | NPC122627 |
0.5946 | Remote Similarity | NPC254095 |
0.5942 | Remote Similarity | NPC221467 |
0.593 | Remote Similarity | NPC471597 |
0.5926 | Remote Similarity | NPC59558 |
0.5926 | Remote Similarity | NPC476012 |
0.5926 | Remote Similarity | NPC4706 |
0.5926 | Remote Similarity | NPC324638 |
0.5922 | Remote Similarity | NPC133729 |
0.5921 | Remote Similarity | NPC269737 |
0.5921 | Remote Similarity | NPC64985 |
0.5915 | Remote Similarity | NPC284224 |
0.5909 | Remote Similarity | NPC138935 |
0.5909 | Remote Similarity | NPC474312 |
0.5904 | Remote Similarity | NPC107654 |
0.5904 | Remote Similarity | NPC474545 |
0.5904 | Remote Similarity | NPC470686 |
0.5897 | Remote Similarity | NPC96414 |
0.5897 | Remote Similarity | NPC19769 |
0.5897 | Remote Similarity | NPC282760 |
0.5895 | Remote Similarity | NPC116930 |
0.5882 | Remote Similarity | NPC477484 |
0.5882 | Remote Similarity | NPC97173 |
0.5882 | Remote Similarity | NPC91044 |
0.5882 | Remote Similarity | NPC82666 |
0.5882 | Remote Similarity | NPC477486 |
0.5875 | Remote Similarity | NPC117804 |
0.5875 | Remote Similarity | NPC63873 |
0.5875 | Remote Similarity | NPC309466 |
0.587 | Remote Similarity | NPC316186 |
0.5867 | Remote Similarity | NPC222852 |
0.5867 | Remote Similarity | NPC329249 |
0.5865 | Remote Similarity | NPC476290 |
0.5862 | Remote Similarity | NPC209232 |
0.5857 | Remote Similarity | NPC474495 |
0.5857 | Remote Similarity | NPC473672 |
0.5857 | Remote Similarity | NPC151782 |
0.5854 | Remote Similarity | NPC469836 |
0.5844 | Remote Similarity | NPC190049 |
0.5833 | Remote Similarity | NPC476923 |
0.5833 | Remote Similarity | NPC315552 |
0.5833 | Remote Similarity | NPC322461 |
0.5823 | Remote Similarity | NPC137163 |
0.5823 | Remote Similarity | NPC201356 |
0.5821 | Remote Similarity | NPC160628 |
0.5821 | Remote Similarity | NPC140501 |
0.5814 | Remote Similarity | NPC474833 |
0.5814 | Remote Similarity | NPC55732 |
0.5814 | Remote Similarity | NPC279532 |
0.5811 | Remote Similarity | NPC249850 |
0.5811 | Remote Similarity | NPC283502 |
0.5811 | Remote Similarity | NPC293437 |
0.5811 | Remote Similarity | NPC193975 |
0.5811 | Remote Similarity | NPC294938 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC471022 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6267 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD4220 | Pre-registration |
0.6 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD6095 | Approved |
0.5914 | Remote Similarity | NPD6094 | Approved |
0.5821 | Remote Similarity | NPD4265 | Approved |
0.575 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD7601 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD4228 | Discovery |
PubChem CID   | 71719469 |
ChEMBL   | CHEMBL2335716 |
ZINC   |
Molecular Weight:   | 295.18 |
ALogP:   | 0.2326 |
MLogP:   | 2.67 |
XLogP:   | 1.004 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 90.12 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |