SCHEMBL14766730

SCHEMBL14766730

CCCCOc1ccc(CCc2ccc(-c3ccc(C4CCC(OCCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.37
FFAR4 Q5NUL3 3/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SCN9A Q15858 1/20 0.33
S1PR3 Q99500 4/20 0.32
FPR2 P25090 1/20 0.32
S1PR2 O95136 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
RARB P10826 1/20 0.31
CNR2 P34972 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
SCHEMBL14766646 0.97 S1PR1 (0.38) S1PR1FFAR4GLASMN1; SMN2NAAA
SCHEMBL14766736 0.94 S1PR1 (0.35) S1PR1FFAR4GLASMN1; SMN2NAAA
SCHEMBL14767113 0.91 GABRA1 (0.36) S1PR1FFAR4GLASMN1; SMN2NAAA
SCHEMBL14766598 0.91 PPARD (0.37) FFAR4NAAA
SCHEMBL14766782 0.91 GABRA1 (0.35) S1PR1FFAR4GLASMN1; SMN2NAAA
SCHEMBL12740005 0.90 S1PR1 (0.39) S1PR1FFAR4GLASMN1; SMN2SCN9A
SCHEMBL14766734 0.89 NAAA (0.37) FFAR4NAAAFPR2
SCHEMBL14767037 0.89 FFAR1 (0.38) FFAR4NAAA
SCHEMBL14765938 0.89 FFAR4 (0.36) S1PR1FFAR4GABRA1GABRB2FPR2
SCHEMBL14766415 0.89 FFAR4 (0.36) S1PR1FFAR4GABRA1GABRB2FPR2

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