SCHEMBL14765781

SCHEMBL14765781

C=CCCOc1ccc(C2CCC(COc3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
SSTR5 P35346 1/20 0.32
KCNH2 Q12809 1/20 0.32
FFAR4 Q5NUL3 3/20 0.31
PDE4D Q08499 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
FPR2 P25090 1/20 0.30
FFAR1 O14842 1/20 0.30
PPARD Q03181 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
SCHEMBL14766699 1.00 ALOX5AP (0.33) ALOX5APFEN1SSTR5KCNH2FFAR4
SCHEMBL14765842 0.94 ALOX5AP (0.32) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14766672 0.94 ALOX5AP (0.32) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14765863 0.94 GABRA1 (0.33) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14766681 0.92 FFAR1 (0.40) SSTR5KCNH2FFAR4FFAR1PPARD
SCHEMBL14767290 0.92 FFAR1 (0.38) SSTR5KCNH2FFAR4PDE4DFFAR1
SCHEMBL14765994 0.92 ALOX5AP (0.33) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14767182 0.92 ALOX5AP (0.33) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14765816 0.91 FFAR1 (0.37) ALOX5APFEN1SSTR5KCNH2FFAR4
SCHEMBL12736034 0.90 FEN1 (0.34) ALOX5APFEN1FFAR4GABRA1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed