SCHEMBL13239284

SCHEMBL13239284

CCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
GRM2 Q14416 1/20 0.37
MCL1 Q07820 1/20 0.36
KIF11 P52732 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP17A1 P05093 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
MAOB P27338 3/20 0.34
PDK2 Q15119 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 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
SCHEMBL22606817 1.00 RARB (0.39) RARBRARARARGGRM2MCL1
SCHEMBL13239291 0.92 RARB (0.45) RARBRARARARGGRM2KIF11
SCHEMBL13239286 0.91 RARB (0.50) RARBRARARARGGRM2S1PR1
SCHEMBL13239287 0.90 RARB (0.52) RARBRARARARGS1PR1S1PR3
SCHEMBL13239288 0.90 RARB (0.52) RARBRARARARGS1PR1S1PR3
SCHEMBL3162430 0.90 GRM2 (0.37) RARBGRM2ALOX5APFEN1S1PR1
SCHEMBL20118150 0.90 GRM2 (0.36) RARBRARARARGGRM2MCL1
SCHEMBL9911959 0.89 GRM2 (0.41) GRM2KIF11ALOX5APFEN1CYP17A1
SCHEMBL17050148 0.88 RARB (0.37) RARBRARARARGGRM2MCL1
SCHEMBL8999676 0.88 RARB (0.41) RARBGRM2S1PR1S1PR3PDK2

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