SCHEMBL9549159

SCHEMBL9549159

COc1ccc(/C(=C(\C#N)CCC(=O)O)c2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
ALDH1A1 P00352 3/20 0.46
ESR2 Q92731 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 4/20 0.44
ESRRB O95718 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR1 P03372 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL9549165 1.00 PDE4B (0.49) PDE4BALDH1A1ESR2CYP1A2HPGD
SCHEMBL9549180 1.00 PDE4B (0.49) PDE4BALDH1A1ESR2CYP1A2HPGD
Satigrel SCHEMBL379555 0.94 PDE4B (0.54) PDE4BALDH1A1CYP1A2HPGDCYP2C19
Satigrel SCHEMBL9050447 0.93 PDE4B (0.53) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9549069 0.88 CYP19A1 (0.47) ALDH1A1ESR2CYP1A2HSD17B10RAB9A
SCHEMBL9549204 0.87 PDE4B (0.61) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9549032 0.86 CYP19A1 (0.50) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL9549325 0.86 ALDH1A1 (0.49) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9549320 0.86 ALDH1A1 (0.49) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9549035 0.86 CYP19A1 (0.50) ALDH1A1HPGDRAB9ANPC1MAPT

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