SCHEMBL7239097

SCHEMBL7239097

CCCCCC(F)=C(F)c1ccc(-c2cc(C3CCC(C)CC3)ccc2C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.38
S1PR1 P21453 4/20 0.37
PTPN11 Q06124 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
RARB P10826 6/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR5 Q9H228 3/20 0.35
P2RY14 Q15391 1/20 0.35
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
ACMSD Q8TDX5 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
SCHEMBL7239094 1.00 FASN (0.38) FASNS1PR1PTPN11LTB4R2RARB
SCHEMBL7231427 0.90 CYP2C9 (0.44) S1PR1PTPN11LTB4R2RARBS1PR3
SCHEMBL7231431 0.90 CYP2C9 (0.44) S1PR1PTPN11LTB4R2RARBS1PR3
SCHEMBL7230901 0.87 S1PR1 (0.40) FASNS1PR1S1PR3S1PR5P2RY14
SCHEMBL7230899 0.87 S1PR1 (0.40) FASNS1PR1S1PR3S1PR5P2RY14
SCHEMBL7230226 0.85 CYP2C9 (0.40) S1PR1PTPN11LTB4R2RARBS1PR3
SCHEMBL7230227 0.85 CYP2C9 (0.40) S1PR1PTPN11LTB4R2RARBS1PR3
SCHEMBL7230582 0.84 CYP2C9 (0.46) S1PR1PTPN11LTB4R2RARBS1PR3
SCHEMBL7230586 0.84 CYP2C9 (0.46) S1PR1PTPN11LTB4R2RARBS1PR3
SCHEMBL7238911 0.83 CYP2C9 (0.46) S1PR1S1PR3S1PR5P2RY14ACMSD

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 5 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
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed