SCHEMBL14767295

SCHEMBL14767295

C=CCCOc1ccc(OCc2ccc(-c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.33
PPARD Q03181 8/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NAAA Q02083 1/20 0.33
CNR2 P34972 2/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ALOX5 P09917 1/20 0.32
CNR1 P21554 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL14766799 0.98 FFAR1 (0.34) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14767224 0.97 GABRA1 (0.35) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14766960 0.94 GABRA1 (0.35) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14766042 0.94 S1PR1 (0.35) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14767035 0.94 GABRA1 (0.34) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14766617 0.93 FFAR1 (0.37) FFAR1PPARDNAAAS1PR1S1PR3
SCHEMBL14766837 0.92 GABRA1 (0.35) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14766234 0.92 S1PR1 (0.36) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14766718 0.92 PPARD (0.36) FFAR1PPARDGABRA1GABRB2NAAA
SCHEMBL14766009 0.92 GABRA1 (0.35) GABRA1GABRB2NAAACNR2CNR1

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