SCHEMBL9549205

SCHEMBL9549205

CCOc1ccc(/C(=C(/C#N)CCCC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 2/20 0.42
PPARA Q07869 1/20 0.42
KYAT1 Q16773 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9549213 1.00 PDE4B (0.53) PDE4BNPC1ALDH1A1KDM4ECYP1A2
SCHEMBL9548997 0.95 NPC1 (0.54) PDE4BNPC1ALDH1A1KDM4ERAB9A
SCHEMBL9549320 0.94 ALDH1A1 (0.49) PDE4BNPC1ALDH1A1KDM4ECYP1A2
SCHEMBL9549325 0.94 ALDH1A1 (0.49) PDE4BNPC1ALDH1A1KDM4ECYP1A2
SCHEMBL9549204 0.92 PDE4B (0.61) PDE4BNPC1ALDH1A1CYP1A2RAB9A
SCHEMBL9549485 0.89 NPC1 (0.48) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549489 0.89 NPC1 (0.48) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549238 0.88 ALDH1A1 (0.51) NPC1ALDH1A1KDM4ERAB9AMAPT
SCHEMBL9549129 0.86 NPC1 (0.52) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9549122 0.86 NPC1 (0.52) 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