SCHEMBL14766030

SCHEMBL14766030

CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.49
▸ S1PR3 Q99500 2/20 0.49
▸ RARB P10826 2/20 0.41
▸ C3AR1 Q16581 1/20 0.41
▸ PTPN11 Q06124 2/20 0.39
▸ FFAR1 O14842 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLCO1B3 Q9NPD5 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38

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
SCHEMBL14765851 0.98 S1PR1 (0.51) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL14766108 0.94 S1PR1 (0.48) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL14766929 0.94 S1PR1 (0.47) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL12735719 0.92 S1PR1 (0.48) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL14766905 0.92 S1PR1 (0.48) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL12735720 0.90 S1PR1 (0.47) S1PR1S1PR3RARBPTPN11FFAR1
SCHEMBL14766053 0.90 S1PR1 (0.45) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL14765871 0.90 S1PR1 (0.45) S1PR1S1PR3RARBC3AR1PTPN11
SCHEMBL12735723 0.89 S1PR1 (0.46) S1PR1S1PR3RARBPTPN11FFAR1
SCHEMBL12735722 0.89 S1PR1 (0.46) S1PR1S1PR3RARBPTPN11FFAR1

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
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