SCHEMBL14766774

SCHEMBL14766774

C=CCCOc1ccc(OCC2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.39
PPARD Q03181 9/20 0.39
FFAR4 Q5NUL3 3/20 0.36
PPARA Q07869 2/20 0.34
SCN9A Q15858 1/20 0.33
KDM1A O60341 1/20 0.33
CNR2 P34972 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL14767103 0.97 FFAR1 (0.38) FFAR1PPARDFFAR4PPARASCN9A
SCHEMBL14767057 0.97 FFAR1 (0.39) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14767125 0.94 FFAR1 (0.38) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14766681 0.94 FFAR1 (0.40) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14766762 0.93 FFAR1 (0.44) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14767290 0.92 FFAR1 (0.38) FFAR1PPARDFFAR4PPARA
SCHEMBL12740764 0.91 FFAR1 (0.40) FFAR1PPARDFFAR4PPARAKDM1A
SCHEMBL14765842 0.91 ALOX5AP (0.32) FFAR4SCN9ACNR2
SCHEMBL14766672 0.91 ALOX5AP (0.32) FFAR4SCN9ACNR2
SCHEMBL14766677 0.91 FFAR1 (0.42) 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