SCHEMBL14766722

SCHEMBL14766722

C=CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCCCC)nc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ELOVL1 Q9BW60 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
S1PR1 P21453 4/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTGES O14684 3/20 0.31
S1PR3 Q99500 2/20 0.31
DGAT1 O75907 1/20 0.31
BRS3 P32247 1/20 0.31

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
SCHEMBL14766249 0.91 ELOVL1 (0.38) CNR2CNR1ELOVL1GABRA1GABRB2
SCHEMBL14766352 0.91 ELOVL1 (0.38) CNR2CNR1ELOVL1S1PR1PTGES
SCHEMBL14766747 0.90 GABRA1 (0.34) CNR2CNR1ELOVL1GABRA1GABRB2
SCHEMBL14766600 0.89 CNR2 (0.43) CNR2CNR1GABRA1GABRB2S1PR1
SCHEMBL14766295 0.89 CNR2 (0.43) CNR2CNR1GABRA1GABRB2S1PR1
SCHEMBL14766449 0.88 S1PR1 (0.41) CNR2CNR1ELOVL1GABRA1GABRB2
SCHEMBL14766723 0.88 CNR2 (0.39) CNR2CNR1GABRA1GABRB2S1PR1
SCHEMBL12738863 0.87 CYP11B1 (0.34) CNR2CNR1ELOVL1GABRA1GABRB2
SCHEMBL14766286 0.86 CNR2 (0.42) CNR2CNR1GABRA1GABRB2S1PR1
SCHEMBL14766470 0.86 CNR2 (0.42) CNR2CNR1GABRA1GABRB2S1PR1

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