SCHEMBL13239289

SCHEMBL13239289

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
GRM2 Q14416 1/20 0.33
KIF11 P52732 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAOB P27338 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
SLC13A5 Q86YT5 1/20 0.31
CYP17A1 P05093 1/20 0.30
RARB P10826 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
SCHEMBL13412040 1.00 ALOX5AP (0.33) ALOX5APFEN1GRM2KIF11FFAR1
SCHEMBL13412044 0.93 ALOX5AP (0.36) ALOX5APFEN1GRM2FFAR1FFAR4
SCHEMBL3152298 0.91 ALOX5AP (0.33) ALOX5APFEN1GRM2FFAR1FFAR4
SCHEMBL3159149 0.87 ESR1 (0.32)
SCHEMBL3160474 0.86 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL13239290 0.85 GRM2 (0.34) ALOX5APFEN1GRM2KIF11FFAR1
SCHEMBL13412058 0.85 GRM2 (0.34) ALOX5APFEN1GRM2KIF11FFAR1
SCHEMBL18315066 0.85 KIF11 (0.32) KIF11
SCHEMBL13002304 0.84 KIF11 (0.39) ALOX5APFEN1GRM2KIF11MAOB
SCHEMBL3965619 0.84 KIF11 (0.33) KIF11FFAR4SLC13A5CYP17A1

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