SCHEMBL14765843

SCHEMBL14765843

C=CCCOc1ccc(C2CCC(/C=C/c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 1/20 0.32
HDAC8 Q9BY41 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
CRBN Q96SW2 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL14765701 0.97 FFAR4 (0.34) FFAR4FFAR1HDAC8RARARARB
SCHEMBL14765888 0.95 FFAR4 (0.36) FFAR4FFAR1
SCHEMBL14766185 0.94 FFAR4 (0.36) FFAR4FFAR1HDAC8RARARARB
SCHEMBL14766952 0.93 HDAC8 (0.31) FFAR4FFAR1HDAC8RARARARB
SCHEMBL12734356 0.92 CYP2C9 (0.32)
SCHEMBL14766101 0.92 FFAR4 (0.35) FFAR4FFAR1HDAC8RARARARB
SCHEMBL14765734 0.91 FFAR4 (0.40) FFAR4FFAR1HDAC8RARARARB
SCHEMBL14766364 0.90 HDAC8 (0.33) FFAR4FFAR1HDAC8RARARARB
SCHEMBL12734357 0.90 CYP2C9 (0.32) FFAR4FFAR1
SCHEMBL12734343 0.90 CYP2C9 (0.33) FFAR4FFAR1HDAC8RARARARB

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