SCHEMBL14766154

SCHEMBL14766154

C=CCCCOc1ccc(-c2ccc(OCc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.36
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
FFAR1 O14842 2/20 0.32
NR1H4 Q96RI1 1/20 0.31
ALDH2 P05091 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
SLC10A2 Q12908 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
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

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
SCHEMBL14766246 0.97 FFAR4 (0.36) FFAR4S1PR1S1PR3FFAR1NR1H4
SCHEMBL14767169 0.95 FFAR4 (0.36) FFAR4S1PR1S1PR3FFAR1ALDH2
SCHEMBL14766124 0.94 FFAR4 (0.40) FFAR4S1PR1S1PR3FFAR1NR1H4
SCHEMBL14766601 0.93 FFAR4 (0.36) FFAR4S1PR1S1PR3FFAR1
SCHEMBL14766524 0.92 FFAR4 (0.36) FFAR4FFAR1NR1H4
SCHEMBL14766199 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3FFAR1NR1H4
SCHEMBL14765974 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3FFAR1NR1H4
SCHEMBL14766732 0.91 FFAR4 (0.34) FFAR4S1PR1S1PR3FFAR1ALDH2
SCHEMBL14765945 0.90 S1PR1 (0.39) FFAR4S1PR1S1PR3FFAR1NR1H4
SCHEMBL12736988 0.90 FFAR4 (0.38) FFAR4FFAR1NR1H4ALDH2MAOA

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