SCHEMBL9549129

SCHEMBL9549129

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
RAB9A P51151 3/20 0.50
MAOB P27338 1/20 0.47
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PLK1 P53350 1/20 0.46
FFAR1 O14842 1/20 0.45
TSHR P16473 2/20 0.44
PARP10 Q53GL7 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G4B P0C869 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 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
SCHEMBL9549122 1.00 NPC1 (0.52) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549566 0.95 PLK1 (0.50) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549067 0.92 CA1 (0.49) ALDH1A1CYP1A2PLK1FFAR1PARP10
SCHEMBL9549325 0.90 ALDH1A1 (0.49) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549320 0.90 ALDH1A1 (0.49) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549208 0.87 NPC1 (0.50) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549216 0.87 NPC1 (0.50) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549205 0.86 PDE4B (0.53) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549213 0.86 PDE4B (0.53) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549238 0.83 ALDH1A1 (0.51) NPC1ALDH1A1KDM4ERAB9AMAOB

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 11 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
EP-0238973-B1 DIPHENYL-METHANE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1992-12-02 EP disclosed
EP-0479332-A2 Diphenyl-methane derivative, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1992-04-08 EP disclosed
US-5103010-A DIPHENYLETHYLENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND TREATMENT METHOD EISAI CO., LTD. (JP) 1992-04-07 US disclosed
EP-0478001-A1 Benzophenone oxime derivatives, pharmaceutical compositions and use Eisai Co., Ltd. (JP) 1992-04-01 EP 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