SCHEMBL14765816

SCHEMBL14765816

C=CCCOc1ccc(C2CCC(COc3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.37
FFAR4 Q5NUL3 6/20 0.37
PPARD Q03181 5/20 0.35
PDE4D Q08499 1/20 0.33
SSTR5 P35346 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KDM1A O60341 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
SCHEMBL14766321 0.96 FFAR1 (0.35) FFAR1FFAR4PPARDALOX5APFEN1
SCHEMBL14767290 0.94 FFAR1 (0.38) FFAR1FFAR4PPARDPDE4DSSTR5
SCHEMBL14766555 0.93 FFAR1 (0.35) FFAR1FFAR4PPARDALOX5APFEN1
SCHEMBL12736205 0.93 KDM1A (0.37) FFAR1FFAR4PPARDALOX5APFEN1
SCHEMBL14766179 0.91 PDE4D (0.37) FFAR1FFAR4PPARDPDE4DSSTR5
SCHEMBL14766699 0.91 ALOX5AP (0.33) FFAR1FFAR4PPARDPDE4DSSTR5
SCHEMBL14765781 0.91 ALOX5AP (0.33) FFAR1FFAR4PPARDPDE4DSSTR5
SCHEMBL14766082 0.91 FFAR1 (0.40) FFAR1FFAR4PPARDPDE4DSSTR5
SCHEMBL14766681 0.90 FFAR1 (0.40) FFAR1FFAR4PPARDSSTR5KCNH2
SCHEMBL14766006 0.90 FFAR1 (0.42) FFAR1FFAR4PPARDPDE4DSSTR5

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