SCHEMBL13239290

SCHEMBL13239290

C/C=C/CCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KIF11 P52732 1/20 0.32
CYP17A1 P05093 1/20 0.32
RARB P10826 3/20 0.31
MAOB P27338 3/20 0.31
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
SLC13A5 Q86YT5 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL13412058 1.00 GRM2 (0.34) GRM2FFAR1FFAR4ALOX5APFEN1
SCHEMBL13412057 0.93 ALOX5AP (0.34) GRM2FFAR1FFAR4ALOX5APFEN1
SCHEMBL12624982 0.90 GRM2 (0.37) GRM2FFAR1FFAR4ALOX5APFEN1
SCHEMBL12623156 0.90 ALOX5AP (0.33) GRM2FFAR1FFAR4ALOX5APFEN1
SCHEMBL18315027 0.87 KIF11 (0.31) KIF11RARB
SCHEMBL18315080 0.86 KIF11 (0.30) KIF11
SCHEMBL13239289 0.85 ALOX5AP (0.33) GRM2FFAR1FFAR4ALOX5APFEN1
SCHEMBL13412040 0.85 ALOX5AP (0.33) GRM2FFAR1FFAR4ALOX5APFEN1
SCHEMBL18310447 0.84 RARB (0.32) FFAR1FFAR4RARBRARARARG
SCHEMBL13636741 0.84 KIF11 (0.37) KIF11RARBMAOBRARARARG

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