SCHEMBL14766896

SCHEMBL14766896

CCCCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.47
▸ S1PR1 P21453 2/20 0.46
▸ S1PR3 Q99500 2/20 0.46
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTPN11 Q06124 2/20 0.40
▸ RARB P10826 2/20 0.40
▸ RARA P10276 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39

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
SCHEMBL14766905 0.96 S1PR1 (0.48) FFAR1FFAR4S1PR1S1PR3PTPN11
SCHEMBL14766108 0.94 S1PR1 (0.48) FFAR1FFAR4S1PR1S1PR3MAPT
SCHEMBL14766929 0.94 S1PR1 (0.47) FFAR1FFAR4S1PR1S1PR3L3MBTL1
SCHEMBL14766910 0.94 FFAR1 (0.43) FFAR1FFAR4S1PR1S1PR3MAPT
SCHEMBL12740171 0.93 MAPT (0.46) FFAR1FFAR4S1PR1S1PR3MAPT
SCHEMBL12740170 0.91 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3MAPT
SCHEMBL14765851 0.91 S1PR1 (0.51) FFAR1FFAR4S1PR1S1PR3PTPN11
SCHEMBL12740179 0.91 S1PR1 (0.46) FFAR1FFAR4S1PR1S1PR3PTPN11
SCHEMBL14766811 0.90 S1PR1 (0.43) FFAR1FFAR4S1PR1S1PR3L3MBTL1
SCHEMBL12740169 0.89 FFAR1 (0.39) FFAR1FFAR4S1PR1S1PR3RAB9A

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
Send feedback