SCHEMBL7232452

SCHEMBL7232452

CCCCC/C=C/c1ccc(CCc2cc(F)c(CCC)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.50
HTR2A P28223 1/20 0.34
RARB P10826 3/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL7232455 1.00 TNNC1 (0.50) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7228490 0.96 TNNC1 (0.45) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7228488 0.96 TNNC1 (0.45) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7228583 0.90 TNNC1 (0.39) TNNC1
SCHEMBL7228587 0.90 TNNC1 (0.39) TNNC1
SCHEMBL7230215 0.89 TNNC1 (0.44) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7230210 0.89 TNNC1 (0.44) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7229360 0.89 TNNC1 (0.52) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7229366 0.89 TNNC1 (0.52) TNNC1HTR2ARARBSPHK2SPHK1
SCHEMBL7233521 0.88 TNNC1 (0.54) TNNC1HTR2ARARBMAPTATM

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