SCHEMBL14765896

SCHEMBL14765896

CCOc1ccc(-c2ccc(OCc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.46
PPARD Q03181 5/20 0.46
FFAR4 Q5NUL3 2/20 0.42
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
GSTP1 P09211 1/20 0.38
CACNA1C Q13936 1/20 0.38
HMOX1 P09601 1/20 0.38
MAOB P27338 1/20 0.38
PTGS2 P35354 2/20 0.37
PTGES O14684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL12717226 0.95 FFAR1 (0.42) FFAR1PPARDFFAR4S1PR1S1PR3
SCHEMBL14766083 0.94 FFAR1 (0.46) FFAR1PPARDFFAR4S1PR1S1PR3
SCHEMBL12736564 0.94 FFAR1 (0.43) FFAR1PPARDFFAR4S1PR1S1PR3
SCHEMBL12823275 0.94 LMNA (0.44) FFAR1PPARDMAOBKDM4EMAPT
SCHEMBL12736566 0.94 FFAR4 (0.44) FFAR1PPARDFFAR4S1PR1S1PR3
SCHEMBL14766865 0.94 FFAR1 (0.52) FFAR1PPARDFFAR4PPARGPPARA
SCHEMBL12717078 0.93 S1PR1 (0.41) FFAR1PPARDFFAR4S1PR1S1PR3
SCHEMBL14766382 0.91 S1PR1 (0.46) FFAR1PPARDFFAR4S1PR1S1PR3
SCHEMBL10303116 0.91 MAPT (0.43) FFAR1PPARDFFAR4KDM4EMAPT
SCHEMBL14766359 0.91 FFAR1 (0.40) FFAR1PPARDFFAR4S1PR1S1PR3

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