SCHEMBL14766100

SCHEMBL14766100

CCCCOc1ccc(-c2ccc(COC3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.42
FFAR1 O14842 2/20 0.42
PPARD Q03181 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
NAAA Q02083 1/20 0.34
CRBN Q96SW2 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
MCL1 Q07820 1/20 0.33
ESR1 P03372 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL14765840 0.98 FFAR4 (0.39) FFAR4FFAR1RARARARBNAAA
SCHEMBL14765921 0.96 FFAR4 (0.38) FFAR4FFAR1RARARARBNAAA
SCHEMBL14766186 0.95 FFAR4 (0.39) FFAR4FFAR1PPARDNAAAESR1
SCHEMBL12736845 0.93 FFAR4 (0.36) FFAR4FFAR1NAAACRBNS1PR1
SCHEMBL14766606 0.92 FFAR4 (0.40) FFAR4FFAR1PPARDRARARARB
SCHEMBL14766281 0.92 FFAR4 (0.36) FFAR4FFAR1RARARARBNAAA
SCHEMBL12736847 0.92 FFAR4 (0.35) FFAR4FFAR1HTR2A
SCHEMBL14766184 0.91 FFAR4 (0.35) FFAR4FFAR1RARARARBCRBN
SCHEMBL12736830 0.91 FFAR4 (0.42) FFAR4FFAR1RARBNAAAS1PR1
SCHEMBL12736855 0.91 PTPN11 (0.36) FFAR4FFAR1HTR2A

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