SCHEMBL6561155

SCHEMBL6561155

COC(=O)c1ccc2c(c1)C(N)CC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
ALOX5 P09917 1/20 0.41
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL6559253 0.85 RXRA (0.41) ALOX5MAPTALDH1A1RARBRARG
SCHEMBL6559262 0.79 TRPV1 (0.43) RAB9ASMN1; SMN2NPC1ALOX5MAPT
SCHEMBL6559931 0.77 KCNA5 (0.44) RAB9ASMN1; SMN2NPC1ALOX5MAPT
SCHEMBL6559277 0.77 KCNE1 (0.40) RAB9ASMN1; SMN2NPC1ALOX5MAPT
SCHEMBL484620 0.77 CYP3A4 (0.45) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL6558679 0.77 HPGD (0.41) RAB9ASMN1; SMN2NPC1ALOX5KDM4E
SCHEMBL6559569 0.77 RAB9A (0.37) RAB9ASMN1; SMN2NPC1ALOX5MAPT
SCHEMBL6561146 0.77 KCNA5 (0.41) RAB9ASMN1; SMN2NPC1ALOX5MAPT
SCHEMBL3589162 0.76 HTR2B (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL6559205 0.76 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2NPC1ALOX5MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed