SCHEMBL9549431

SCHEMBL9549431

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
NPC1 O15118 4/20 0.47
PLK1 P53350 1/20 0.47
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 3/20 0.43
ESRRB O95718 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 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
SCHEMBL9549358 0.89 L3MBTL1 (0.48) HTTNPC1PLK1PARP10ALDH1A1
SCHEMBL9549489 0.89 NPC1 (0.48) HTTNPC1PLK1PARP10ALDH1A1
SCHEMBL9549485 0.89 NPC1 (0.48) HTTNPC1PLK1PARP10ALDH1A1
SCHEMBL9549238 0.87 ALDH1A1 (0.51) HTTNPC1PLK1PARP10ALDH1A1
SCHEMBL10394315 0.87 MAOB (0.47) HTTNPC1PARP10ALDH1A1MAPT
SCHEMBL9549325 0.85 ALDH1A1 (0.49) HTTNPC1PARP10ALDH1A1MAPT
SCHEMBL9549320 0.85 ALDH1A1 (0.49) HTTNPC1PARP10ALDH1A1MAPT
SCHEMBL9549032 0.83 CYP19A1 (0.50) HTTNPC1PARP10ALDH1A1MAPT
SCHEMBL9549039 0.83 CYP19A1 (0.50) HTTNPC1PARP10ALDH1A1MAPT
SCHEMBL9549035 0.83 CYP19A1 (0.50) HTTNPC1PARP10ALDH1A1MAPT

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