SCHEMBL14765998

SCHEMBL14765998

C=CCCOc1ccc(-c2ccc(OCc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.41
PPARD Q03181 6/20 0.41
NAAA Q02083 1/20 0.37
CACNA1C Q13936 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RET P07949 1/20 0.33
CNR2 P34972 1/20 0.33
S1PR1 P21453 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
SCHEMBL14765891 0.93 CNR2 (0.39) FFAR1PPARDNAAAFFAR4CNR2
SCHEMBL12737100 0.92 FFAR1 (0.38) FFAR1PPARDNAAAFFAR4CNR2
SCHEMBL14766621 0.92 FFAR1 (0.35) FFAR1PPARDCACNA1CFFAR4RET
SCHEMBL14766117 0.92 FFAR1 (0.35) FFAR1PPARDCACNA1CFFAR4RET
SCHEMBL14766224 0.91 CNR2 (0.39) FFAR1PPARDNAAACACNA1CFFAR4
SCHEMBL14766202 0.90 FFAR1 (0.42) FFAR1PPARDNAAACACNA1CFFAR4
SCHEMBL14765977 0.89 S1PR1 (0.38) FFAR1PPARDNAAAFFAR4PPARG
SCHEMBL12737106 0.89 FFAR1 (0.37) FFAR1PPARDNAAAFFAR4CNR2
SCHEMBL14765983 0.88 FFAR1 (0.47) FFAR1PPARDNAAACACNA1CFFAR4
SCHEMBL14766499 0.88 FFAR1 (0.43) FFAR1PPARDNAAAFFAR4PPARG

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