SCHEMBL9549238

SCHEMBL9549238

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PLA2G4B P0C869 1/20 0.48
PLK1 P53350 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9549032 0.95 CYP19A1 (0.50) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549039 0.95 CYP19A1 (0.50) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549325 0.95 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549320 0.95 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549035 0.95 CYP19A1 (0.50) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9548997 0.93 NPC1 (0.54) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549205 0.88 PDE4B (0.53) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549213 0.88 PDE4B (0.53) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549566 0.88 PLK1 (0.50) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL9549358 0.87 L3MBTL1 (0.48) ALDH1A1NPC1RAB9AHTTPARP10

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 12 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
EP-0238973-A2 Diphenyl-methane derivative, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1987-09-30 EP disclosed