SCHEMBL7230899

SCHEMBL7230899

CCC/C(F)=C(\F)c1ccc(C(=O)O)c(-c2ccc(C3CCC(C)CC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.40
P2RY14 Q15391 6/20 0.39
FASN P49327 1/20 0.38
S1PR5 Q9H228 4/20 0.37
S1PR3 Q99500 3/20 0.37
ADRB3 P13945 2/20 0.36
ADRA2B P18089 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
ADRA1B P35368 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
PPARG P37231 1/20 0.36
CYP2C9 P11712 2/20 0.36
DHODH Q02127 1/20 0.35
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35

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
SCHEMBL7230901 1.00 S1PR1 (0.40) S1PR1P2RY14FASNS1PR5S1PR3
SCHEMBL7229850 0.90 CYP2C9 (0.49) S1PR1P2RY14S1PR5S1PR3ADRB3
SCHEMBL7229854 0.90 CYP2C9 (0.49) S1PR1P2RY14S1PR5S1PR3ADRB3
SCHEMBL7231302 0.87 CYP2C9 (0.42) S1PR1P2RY14S1PR5S1PR3ADRB3
SCHEMBL7231296 0.87 CYP2C9 (0.42) S1PR1P2RY14S1PR5S1PR3ADRB3
SCHEMBL7239094 0.87 FASN (0.38) S1PR1P2RY14FASNS1PR5S1PR3
SCHEMBL7239097 0.87 FASN (0.38) S1PR1P2RY14FASNS1PR5S1PR3
SCHEMBL7238622 0.84 CYP2C9 (0.47) S1PR1P2RY14S1PR5S1PR3ADRB3
SCHEMBL7238623 0.84 CYP2C9 (0.47) S1PR1P2RY14S1PR5S1PR3ADRB3
SCHEMBL7238911 0.84 CYP2C9 (0.46) S1PR1P2RY14S1PR5S1PR3ADRB3

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