SCHEMBL9549067

SCHEMBL9549067

COc1ccc(C(=C(C#N)CC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
PDE4B Q07343 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
PLK1 P53350 1/20 0.45
FFAR1 O14842 1/20 0.45
GSK3B P49841 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PARP1 P09874 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
SCHEMBL9549129 0.92 NPC1 (0.52) PLK1FFAR1PARP10ALDH1A1CYP1A2
SCHEMBL9549122 0.92 NPC1 (0.52) PLK1FFAR1PARP10ALDH1A1CYP1A2
Satigrel SCHEMBL379555 0.88 PDE4B (0.54) CA1CA2PDE4BCES2CES1
Satigrel SCHEMBL9050447 0.86 PDE4B (0.53) CA1CA2PDE4BCES2CES1
SCHEMBL9549566 0.85 PLK1 (0.50) PLK1PARP10ALDH1A1CYP1A2HPGD
SCHEMBL9549204 0.84 PDE4B (0.61) CA1CA2PDE4BCES2CES1
SCHEMBL9549165 0.82 PDE4B (0.49) CA1CA2PDE4BCES2CES1
SCHEMBL9549159 0.82 PDE4B (0.49) CA1CA2PDE4BCES2CES1
SCHEMBL9549180 0.82 PDE4B (0.49) CA1CA2PDE4BCES2CES1
SCHEMBL9549329 0.82 MAPT (0.49) CA1CA2HDAC3HDAC4HDAC1

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