SCHEMBL14766172

SCHEMBL14766172

CCOc1ccc(-c2ccc(OCc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.49
PPARD Q03181 6/20 0.49
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NAAA Q02083 2/20 0.40
GSTP1 P09211 1/20 0.39
PTGES O14684 2/20 0.38
ERN1 O75460 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP17A1 P05093 1/20 0.37

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
SCHEMBL14766080 0.93 RARA (0.45) FFAR1PPARDPPARGPPARANAAA
SCHEMBL12822899 0.93 FFAR1 (0.47) FFAR1PPARDPPARANAAAERN1
SCHEMBL12717592 0.91 FFAR1 (0.40) FFAR1PPARDNAAAERN1FFAR4
SCHEMBL14766865 0.91 FFAR1 (0.52) FFAR1PPARDPPARGPPARAGSTP1
SCHEMBL14767064 0.91 NQO1 (0.41) FFAR1PPARDGSTP1PTGESFFAR4
SCHEMBL14766357 0.91 NQO1 (0.41) FFAR1PPARDGSTP1PTGESFFAR4
SCHEMBL12736532 0.90 FFAR4 (0.45) FFAR1PPARDNAAAERN1FFAR4
SCHEMBL12736531 0.90 FFAR1 (0.42) FFAR1PPARDNAAAERN1FFAR4
SCHEMBL14765867 0.90 FFAR1 (0.44) FFAR1PPARDPPARGPPARANAAA
SCHEMBL14767069 0.90 FFAR1 (0.54) FFAR1PPARDPPARGPPARAGSTP1

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