SCHEMBL14766199

SCHEMBL14766199

CCCCOC1CCC(c2ccc(COc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.39
FFAR1 O14842 2/20 0.37
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
NR1H4 Q96RI1 2/20 0.33
ESR1 P03372 1/20 0.33
PPARD Q03181 1/20 0.33
HMOX1 P09601 1/20 0.33
CACNA1C Q13936 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KCNH2 Q12809 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
SCHEMBL14766124 0.97 FFAR4 (0.40) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL14767144 0.94 FFAR4 (0.39) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL14765974 0.94 FFAR4 (0.39) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL14766222 0.92 FFAR4 (0.40) FFAR4FFAR1NR1H4ESR1PPARD
SCHEMBL14766856 0.92 FFAR4 (0.40) FFAR4FFAR1S1PR1S1PR3ALOX5AP
SCHEMBL14766154 0.91 FFAR4 (0.36) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL14766246 0.91 FFAR4 (0.36) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL14766265 0.89 S1PR1 (0.40) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL14766709 0.89 FFAR4 (0.39) FFAR4FFAR1S1PR1S1PR3ALOX5AP
SCHEMBL14766606 0.89 FFAR4 (0.40) FFAR4FFAR1S1PR1S1PR3ESR1

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