SCHEMBL14766006

SCHEMBL14766006

CCCCOc1ccc(-c2ccc(OCC3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.42
FFAR4 Q5NUL3 7/20 0.42
PPARD Q03181 6/20 0.37
PDE4D Q08499 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM1A O60341 1/20 0.34
SSTR5 P35346 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL14766142 0.98 FFAR1 (0.39) FFAR1FFAR4PPARDPDE4DRARA
SCHEMBL14766140 0.96 FFAR1 (0.38) FFAR1FFAR4PPARDPDE4DRARA
SCHEMBL14766082 0.95 FFAR1 (0.40) FFAR1FFAR4PPARDPDE4DKDM1A
SCHEMBL14767084 0.93 FFAR1 (0.41) FFAR1FFAR4PPARDPDE4D
SCHEMBL12736189 0.93 KDM1A (0.39) FFAR1FFAR4PPARDALOX5APFEN1
SCHEMBL14766555 0.92 FFAR1 (0.35) FFAR1FFAR4PPARDRARARARB
SCHEMBL12736197 0.92 KDM1A (0.38) FFAR1FFAR4PPARDKDM1A
SCHEMBL14766321 0.91 FFAR1 (0.35) FFAR1FFAR4PPARDRARARARB
SCHEMBL12736204 0.91 KDM1A (0.38) FFAR1FFAR4PPARDKDM1A
SCHEMBL12736200 0.91 KDM1A (0.38) FFAR1FFAR4PPARDKDM1A

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