SCHEMBL9549216

SCHEMBL9549216

CCOC(=O)CC(C#N)=C(c1ccc(OC)cc1)c1ccc(OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
RAB9A P51151 2/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PLK1 P53350 1/20 0.43
BRAF P15056 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL9549208 1.00 NPC1 (0.50) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549329 0.95 MAPT (0.49) NPC1ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL10394315 0.89 MAOB (0.47) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549122 0.87 NPC1 (0.52) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549129 0.87 NPC1 (0.52) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9177039 0.83 MAPT (0.46) NPC1ALDH1A1CYP1A2RAB9AMAPT
SCHEMBL9549358 0.83 L3MBTL1 (0.48) NPC1ALDH1A1RAB9AMAOBMAPK1
SCHEMBL9549489 0.83 NPC1 (0.48) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549485 0.83 NPC1 (0.48) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549325 0.82 ALDH1A1 (0.49) NPC1ALDH1A1KDM4ECYP1A2RAB9A

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