SCHEMBL14766101

SCHEMBL14766101

CCCCOc1ccc(C2CCC(/C=C/c3ccc(-c4ccc(OCCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
FFAR1 O14842 1/20 0.35
SLC2A1 P11166 1/20 0.33
HDAC8 Q9BY41 3/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
CRBN Q96SW2 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
MCL1 Q07820 1/20 0.32
ACACB O00763 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL14766185 0.98 FFAR4 (0.36) FFAR4FFAR1SLC2A1HDAC8RARA
SCHEMBL14765734 0.95 FFAR4 (0.40) FFAR4FFAR1HDAC8RARARARB
SCHEMBL12734343 0.94 CYP2C9 (0.33) FFAR4FFAR1HDAC8RARARARB
SCHEMBL14767173 0.93 HDAC8 (0.33) FFAR4FFAR1SLC2A1HDAC8RARA
SCHEMBL14765843 0.92 FFAR4 (0.32) FFAR4FFAR1HDAC8RARARARB
SCHEMBL14765701 0.92 FFAR4 (0.34) FFAR4FFAR1HDAC8RARARARB
SCHEMBL12734344 0.92 HDAC8 (0.34) FFAR4FFAR1HDAC8CRBNS1PR1
SCHEMBL12734347 0.91 PTPN11 (0.35) FFAR4FFAR1HDAC8CRBNPTPN11
SCHEMBL12734355 0.91 PTPN11 (0.35) FFAR4FFAR1HDAC8CRBNPTPN11
SCHEMBL12734348 0.91 PTPN11 (0.35) FFAR4FFAR1HDAC8CRBNPTPN11

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