SCHEMBL7238596

SCHEMBL7238596

CCC/C=C/c1ccc(CCc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
TRPV4 Q9HBA0 1/20 0.40
KCNJ1 P48048 2/20 0.38
KCNH2 Q12809 1/20 0.38
TNNC1 P63316 1/20 0.36
CYP11B1 P15538 7/20 0.35
CYP11B2 P19099 7/20 0.35
AR P10275 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHKA P35790 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL7238600 1.00 DAO (0.43) DAOTRPV4KCNJ1KCNH2TNNC1
SCHEMBL7229530 0.91 TNNC1 (0.46) DAOTRPV4KCNJ1KCNH2TNNC1
SCHEMBL7229527 0.91 TNNC1 (0.46) DAOTRPV4KCNJ1KCNH2TNNC1
SCHEMBL7229156 0.89 DAO (0.40) DAOTRPV4KCNJ1KCNH2CYP11B1
SCHEMBL7229159 0.89 DAO (0.40) DAOTRPV4KCNJ1KCNH2CYP11B1
SCHEMBL7228595 0.89 DAO (0.41) DAOTRPV4KCNJ1KCNH2CYP11B1
SCHEMBL7228593 0.89 DAO (0.41) DAOTRPV4KCNJ1KCNH2CYP11B1
SCHEMBL7229941 0.85 TRPV4 (0.37) TRPV4TNNC1
SCHEMBL7229945 0.85 TRPV4 (0.37) TRPV4TNNC1
SCHEMBL7236444 0.83 NFE2L2 (0.41) DAOTNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6623810-B2 Refractive index anisotropy SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-23 US disclosed
US-20010050353-A1 Phenylacetylene compound, liquid crystal composition, and liquid crystal element produced with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-13 US disclosed
EP-0781827-B1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2001-06-13 EP disclosed
US-6149837-A SUBSTITUTED 1,4-BIS(SUBSTITUED PHENYLACETYLENE)BENZENE WHERE AT LEAST ONE RING HAS AN ALKYL ATTACHMENT, HAS A LARGE ANISOTROPY OF REFRACTIVE INDEX, TENDS TO BE MIXED WITH OTHER LIQUID CRYSTALS, IS LIGHT STABLE; LIQUID CRYSTAL ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-21 US disclosed
US-5866035-A LARGE BIREFRINGENCE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed