SCHEMBL7239267

SCHEMBL7239267

CCC/C=C/c1ccc(Cc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
TNNC1 P63316 1/20 0.35
TUBB1 Q9H4B7 2/20 0.34
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL7239271 1.00 LTA4H (0.35) LTA4HTNNC1TUBB1ALOX5PTGS1
SCHEMBL7237072 0.88 TNNC1 (0.40) TNNC1TUBB1ALOX5PTGS1PTGS2
SCHEMBL7237074 0.88 TNNC1 (0.40) TNNC1TUBB1ALOX5PTGS1PTGS2
SCHEMBL7229643 0.85 TNNC1 (0.41) TNNC1TUBB1
SCHEMBL7230128 0.85 TNNC1 (0.41) TNNC1PTGS1PTGS2
SCHEMBL7230125 0.85 TNNC1 (0.41) TNNC1PTGS1PTGS2
SCHEMBL7229649 0.85 TNNC1 (0.41) TNNC1TUBB1
SCHEMBL7232803 0.80 ALOX5 (0.43) LTA4HTNNC1TUBB1ALOX5PTGS1
SCHEMBL7232801 0.80 ALOX5 (0.43) LTA4HTNNC1TUBB1ALOX5PTGS1
SCHEMBL7229831 0.80 PPARG (0.40)

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