SCHEMBL14766352

SCHEMBL14766352

CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.38
S1PR1 P21453 4/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
RET P07949 1/20 0.34
PTGES O14684 2/20 0.33
S1PR3 Q99500 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
DGAT1 O75907 1/20 0.33
BRS3 P32247 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33

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
SCHEMBL14766249 0.96 ELOVL1 (0.38) ELOVL1S1PR1MAPTRAB9AL3MBTL1
SCHEMBL21869910 0.91 CNR2 (0.39) S1PR1FFAR4MAPTRAB9AL3MBTL1
SCHEMBL14766722 0.91 CNR2 (0.39) ELOVL1S1PR1CNR2CNR1PTGES
SCHEMBL12738835 0.88 CYP11B1 (0.36) S1PR1FFAR4MAPTRAB9AL3MBTL1
SCHEMBL12718153 0.88 GRM2 (0.39) FFAR4
SCHEMBL14766434 0.88 S1PR1 (0.45) ELOVL1S1PR1CNR2CNR1PTGES
SCHEMBL12738849 0.87 CNR2 (0.35) S1PR1FFAR4MAPTRAB9AL3MBTL1
SCHEMBL14766725 0.87 CNR2 (0.35) S1PR1FFAR4MAPTRAB9AL3MBTL1
SCHEMBL14767070 0.87 CYP3A4 (0.39) S1PR1FFAR4MAPTRAB9AL3MBTL1
SCHEMBL14765976 0.87 CYP3A4 (0.39) S1PR1FFAR4MAPTRAB9AL3MBTL1

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