SCHEMBL14765863

SCHEMBL14765863

C=CCCOc1ccc(C2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FPR2 P25090 2/20 0.32
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
CNR2 P34972 1/20 0.30
MAPT P10636 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
SCHEMBL14765781 0.94 ALOX5AP (0.33) GABRA1GABRB2FPR2FFAR4FFAR1
SCHEMBL14766699 0.94 ALOX5AP (0.33) GABRA1GABRB2FPR2FFAR4FFAR1
SCHEMBL14765848 0.94 CNR2 (0.35) GABRA1GABRB2FFAR4CYP1A2CYP2D6
SCHEMBL14766208 0.92 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL14766844 0.92 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL14765662 0.91 KDM1A (0.36) GABRA1GABRB2FPR2FFAR4FFAR1
SCHEMBL14766194 0.90 HPGD (0.35) FFAR4FFAR1ALOX5APFEN1
SCHEMBL14766260 0.90
SCHEMBL14767203 0.90 FFAR4 (0.31) GABRA1GABRB2FFAR4
SCHEMBL14765919 0.90

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