SCHEMBL9549320

SCHEMBL9549320

CCOc1ccc(/C(=C(/C#N)CCC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 2/20 0.49
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.47
MAOB P27338 1/20 0.47
PDE4B Q07343 1/20 0.47
HTT P42858 1/20 0.45
PARP10 Q53GL7 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 1/20 0.44
PLA2G4B P0C869 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9549325 1.00 ALDH1A1 (0.49) ALDH1A1NPC1KDM4ECYP1A2RAB9A
SCHEMBL9549238 0.95 ALDH1A1 (0.51) ALDH1A1NPC1KDM4ERAB9AMAPT
SCHEMBL9549205 0.94 PDE4B (0.53) ALDH1A1NPC1KDM4ECYP1A2RAB9A
SCHEMBL9549213 0.94 PDE4B (0.53) ALDH1A1NPC1KDM4ECYP1A2RAB9A
Satigrel SCHEMBL379555 0.92 PDE4B (0.54) ALDH1A1NPC1CYP1A2RAB9AMAPT
Satigrel SCHEMBL9050447 0.90 PDE4B (0.53) ALDH1A1NPC1CYP1A2RAB9AMAPT
SCHEMBL9549129 0.90 NPC1 (0.52) ALDH1A1NPC1KDM4ECYP1A2RAB9A
SCHEMBL9549035 0.90 CYP19A1 (0.50) ALDH1A1NPC1KDM4ERAB9AMAPT
SCHEMBL9549032 0.90 CYP19A1 (0.50) ALDH1A1NPC1KDM4ERAB9AMAPT
SCHEMBL9549122 0.90 NPC1 (0.52) ALDH1A1NPC1KDM4ECYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206403-A Diphenylethylene derivatives, pharmaceutical compositions containing same and treatment methods EISAI CO., LTD. (JP) 1993-04-27 US disclosed
US-5182301-A Anticoagulants EISAI CO., LTD. (JP) 1993-01-26 US disclosed
US-5103010-A DIPHENYLETHYLENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND TREATMENT METHOD EISAI CO., LTD. (JP) 1992-04-07 US disclosed
US-5064848-A Anticoagulants EISAI CO., LTD. (JP) 1991-11-12 US disclosed
US-5034418-A Anticoagulants EISAI CO., LTD. (JP) 1991-07-23 US disclosed
US-4978767-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1990-12-18 US disclosed
US-4954523-A ANTICOAGULANT EISAI CO., LTD. (JP) 1990-09-04 US disclosed
US-4886834-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1989-12-12 US disclosed