SCHEMBL14766736

SCHEMBL14766736

CCCCOC1CCC(c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.35
FFAR4 Q5NUL3 3/20 0.35
NAAA Q02083 2/20 0.35
KDM1A O60341 2/20 0.32
S1PR3 Q99500 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RARB P10826 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CALM1 P0DP23 2/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
BRD4 O60885 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) S1PR1FFAR4NAAAS1PR3GLA
SCHEMBL14766730 0.94 S1PR1 (0.37) S1PR1FFAR4NAAAS1PR3GLA
SCHEMBL14766734 0.91 NAAA (0.37) FFAR4NAAAKDM1ACALM1FPR2
SCHEMBL14767113 0.91 GABRA1 (0.36) S1PR1FFAR4NAAAGLASMN1; SMN2
SCHEMBL14766567 0.91 PPARD (0.39) FFAR4NAAA
SCHEMBL14766782 0.91 GABRA1 (0.35) S1PR1FFAR4NAAAGLASMN1; SMN2
SCHEMBL11021951 0.90 NAAA (0.40) FFAR4NAAAKDM1ARARBFPR2
SCHEMBL14766964 0.89 FFAR1 (0.39) FFAR4NAAA
SCHEMBL14766659 0.89 FFAR4 (0.36) S1PR1FFAR4NAAA
SCHEMBL14765966 0.89 FFAR4 (0.36) S1PR1FFAR4NAAA

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