SCHEMBL14767113

SCHEMBL14767113

C=CCCCOc1ccc(CCc2ccc(-c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CNR2 P34972 2/20 0.36
S1PR1 P21453 2/20 0.34
CNR1 P21554 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 1/20 0.31
SCN9A Q15858 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
SCHEMBL14766782 0.97 GABRA1 (0.35) GABRA1GABRB2CNR2S1PR1CNR1
SCHEMBL14766646 0.94 S1PR1 (0.38) GABRA1GABRB2CNR2S1PR1FFAR4
SCHEMBL14766790 0.92 GABRA1 (0.35) GABRA1GABRB2CNR2CNR1FFAR4
SCHEMBL14766389 0.91 GABRA1 (0.36) GABRA1GABRB2CNR2FFAR4NAAA
SCHEMBL14766730 0.91 S1PR1 (0.37) GABRA1GABRB2CNR2S1PR1FFAR4
SCHEMBL14766736 0.91 S1PR1 (0.35) S1PR1FFAR4GLASMN1; SMN2NAAA
SCHEMBL14766960 0.90 GABRA1 (0.35) GABRA1GABRB2CNR2CNR1FFAR4
SCHEMBL14766852 0.90 GABRA1 (0.36) GABRA1GABRB2CNR2S1PR1CNR1
SCHEMBL14766543 0.90 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1FFAR4
SCHEMBL14766102 0.90 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1FFAR4

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