SCHEMBL9549204

SCHEMBL9549204

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.61
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41

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
Satigrel SCHEMBL379555 0.93 PDE4B (0.54) PDE4BHTTALDH1A1CYP1A2HPGD
SCHEMBL9549213 0.92 PDE4B (0.53) PDE4BHTTALDH1A1CYP1A2HPGD
SCHEMBL9549205 0.92 PDE4B (0.53) PDE4BHTTALDH1A1CYP1A2HPGD
Satigrel SCHEMBL9050447 0.91 PDE4B (0.53) PDE4BHTTALDH1A1CYP1A2HPGD
SCHEMBL9549165 0.87 PDE4B (0.49) PDE4BHTTALDH1A1CYP1A2HPGD
SCHEMBL9082773 0.87 PDE4B (0.46) PDE4BHTTALDH1A1HSD17B10NPC1
SCHEMBL9549180 0.87 PDE4B (0.49) PDE4BHTTALDH1A1CYP1A2HPGD
SCHEMBL9549159 0.87 PDE4B (0.49) PDE4BHTTALDH1A1CYP1A2HPGD
SCHEMBL9548997 0.86 NPC1 (0.54) PDE4BHTTALDH1A1NPC1RAB9A
SCHEMBL9549320 0.85 ALDH1A1 (0.49) PDE4BHTTALDH1A1CYP1A2HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238973-B1 DIPHENYL-METHANE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1992-12-02 EP claimed
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