SCHEMBL13239291

SCHEMBL13239291

CCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.45
RARA P10276 2/20 0.45
RARG P13631 1/20 0.45
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 2/20 0.37
GRM2 Q14416 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MPL P40238 4/20 0.35
KIF11 P52732 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL13239286 0.96 RARB (0.50) RARBRARARARGS1PR1S1PR3
SCHEMBL13239287 0.95 RARB (0.52) RARBRARARARGS1PR1S1PR3
SCHEMBL13239288 0.95 RARB (0.52) RARBRARARARGS1PR1S1PR3
SCHEMBL22606817 0.92 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL13239284 0.92 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL12696479 0.91 RARB (0.46) RARBRARARARGS1PR1S1PR3
SCHEMBL3166211 0.90 RARB (0.40) RARBRARARARGS1PR1S1PR3
SCHEMBL18488839 0.88 RARB (0.38) RARBRARARARGS1PR1S1PR3
SCHEMBL15299083 0.87 RARB (0.38) RARBRARARARGS1PR1S1PR3
SCHEMBL9226432 0.87 RARB (0.48) RARBRARARARGS1PR1S1PR3

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-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed