SCHEMBL14767103

SCHEMBL14767103

C=CCCOc1ccc(OCC2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.38
PPARD Q03181 8/20 0.38
FFAR4 Q5NUL3 4/20 0.35
PPARA Q07869 1/20 0.33
SCN9A Q15858 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KDM1A O60341 1/20 0.31
CNR2 P34972 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 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
SCHEMBL14766774 0.97 FFAR1 (0.39) FFAR1PPARDFFAR4PPARASCN9A
SCHEMBL14767125 0.97 FFAR1 (0.38) FFAR1PPARDFFAR4PPARAALOX5AP
SCHEMBL14767290 0.95 FFAR1 (0.38) FFAR1PPARDFFAR4PPARA
SCHEMBL14767057 0.94 FFAR1 (0.39) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14766321 0.93 FFAR1 (0.35) FFAR1PPARDFFAR4SCN9AALOX5AP
SCHEMBL14766560 0.93 FFAR1 (0.42) FFAR1PPARDFFAR4PPARAALOX5AP
SCHEMBL12740800 0.92 PPARD (0.38) FFAR1PPARDFFAR4PPARAALOX5AP
SCHEMBL14766672 0.92 ALOX5AP (0.32) FFAR4SCN9AALOX5APFEN1CNR2
SCHEMBL14765842 0.92 ALOX5AP (0.32) FFAR4SCN9AALOX5APFEN1CNR2
SCHEMBL14766681 0.91 FFAR1 (0.40) FFAR1PPARDFFAR4PPARAKDM1A

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