SCHEMBL15460780

SCHEMBL15460780

CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OC=C(F)F)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 2/20 0.34
GRM2 Q14416 1/20 0.33
RARB P10826 3/20 0.31
ERN1 O75460 1/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ALOX5 P09917 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
THRB P10828 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL15460773 0.91 S1PR1 (0.34) S1PR1S1PR3GRM2RARBRARA
SCHEMBL15460809 0.90 RARB (0.40) S1PR1S1PR3GRM2RARBRARA
SCHEMBL15460779 0.90 GRM2 (0.30) GRM2ALOX5APFEN1
SCHEMBL15460807 0.90 KIF11 (0.34) S1PR1S1PR3GRM2RARBRARA
SCHEMBL15461318 0.90 S1PR1 (0.34) S1PR1S1PR3GRM2RARBERN1
SCHEMBL15460636 0.89 S1PR1 (0.33) S1PR1S1PR3RARBRARARARG
SCHEMBL15460781 0.88 RARB (0.38) S1PR1S1PR3GRM2RARBRARA
SCHEMBL18315090 0.88 S1PR1 (0.33) S1PR1S1PR3GRM2RARBERN1
SCHEMBL15460653 0.88 S1PR1 (0.37) S1PR1S1PR3RARBRARARARG
SCHEMBL12624786 0.85 ALOX5AP (0.39) S1PR1S1PR3GRM2RARBRARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed