SCHEMBL9549358

SCHEMBL9549358

CCOC(=O)CCC(C#N)=C(c1ccc(OCC)cc1)c1ccc(OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.47
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PLK1 P53350 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
PLA2G4B P0C869 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
BRAF P15056 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL10394315 0.95 MAOB (0.47) L3MBTL1NPC1PARP10ALDH1A1MAOB
SCHEMBL9177039 0.89 MAPT (0.46) L3MBTL1NPC1ALDH1A1KMT2ARAB9A
SCHEMBL9549431 0.89 HTT (0.53) L3MBTL1NPC1PARP10ALDH1A1PLK1
SCHEMBL9549238 0.87 ALDH1A1 (0.51) L3MBTL1NPC1PARP10ALDH1A1PLK1
SCHEMBL9549317 0.86 ESR1 (0.49) L3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL9549208 0.83 NPC1 (0.50) NPC1PARP10ALDH1A1PLK1MAOB
SCHEMBL9549216 0.83 NPC1 (0.50) NPC1PARP10ALDH1A1PLK1MAOB
SCHEMBL9549320 0.83 ALDH1A1 (0.49) NPC1PARP10ALDH1A1MAOBMAPK1
SCHEMBL9549035 0.83 CYP19A1 (0.50) NPC1PARP10ALDH1A1MAOBPLA2G4B
SCHEMBL9549032 0.83 CYP19A1 (0.50) NPC1PARP10ALDH1A1MAOBPLA2G4B

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