SCHEMBL7229366

SCHEMBL7229366

CCCCCC=Cc1ccc(CCc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.52
HTR2A P28223 1/20 0.36
RARB P10826 3/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7229360 1.00 TNNC1 (0.52) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7238957 0.99 TNNC1 (0.54) TNNC1HTR2ARARBRARARARG
SCHEMBL7233521 0.99 TNNC1 (0.54) TNNC1HTR2ARARBRARARARG
SCHEMBL7238954 0.99 TNNC1 (0.54) TNNC1HTR2ARARBRARARARG
SCHEMBL7233520 0.99 TNNC1 (0.54) TNNC1HTR2ARARBRARARARG
SCHEMBL7231757 0.96 TNNC1 (0.47) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7231752 0.96 TNNC1 (0.47) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7237074 0.90 TNNC1 (0.40) TNNC1SPHK1
SCHEMBL7237072 0.90 TNNC1 (0.40) TNNC1SPHK1
SCHEMBL7232452 0.89 TNNC1 (0.50) TNNC1HTR2ARARBSPHK2SPHK1

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