SCHEMBL7963353

SCHEMBL7963353

COC(=O)c1ccc2c(c1)[C@@H](N)[C@H](O)[C@@](C)(C(OC)OC)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27499685 1.00 ALOX5 (0.38) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7966868 1.00 ALOX5 (0.38) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7970569 0.80 BCL2 (0.33)
SCHEMBL7964901 0.80 BCL2 (0.33)
SCHEMBL7964237 0.79 AKR1B1 (0.38) SMN1; SMN2RAB9AMAPTALDH1A1ABCC9
SCHEMBL7952174 0.79 AKR1B1 (0.38) SMN1; SMN2RAB9AMAPTALDH1A1ABCC9
SCHEMBL7964272 0.79 AKR1B1 (0.38) SMN1; SMN2RAB9AMAPTALDH1A1ABCC9
SCHEMBL6983916 0.79 AKR1B1 (0.38) SMN1; SMN2RAB9AMAPTALDH1A1ABCC9
SCHEMBL7963402 0.79 AKR1B1 (0.38) SMN1; SMN2RAB9AMAPTALDH1A1ABCC9
SCHEMBL7964893 0.77 KDM4E (0.44) KDM4EABCC9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed