SCHEMBL14766948

SCHEMBL14766948

CCCCOc1ccc(-c2ccc(CCc3ccc(-c4cnc(OCCC)nc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.42
RARB P10826 3/20 0.34
RARA P10276 2/20 0.34
CNR2 P34972 2/20 0.34
RARG P13631 1/20 0.34
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 0.33
S1PR3 Q99500 4/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CNR1 P21554 1/20 0.32
FAAH O00519 1/20 0.32
PPARD Q03181 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
S1PR2 O95136 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
SCHEMBL14766450 0.94 S1PR1 (0.40) S1PR1RARBRARACNR2RARG
SCHEMBL14766848 0.91 S1PR1 (0.39) S1PR1RARBRARACNR2RARG
SCHEMBL12738897 0.90 S1PR1 (0.43) S1PR1RARBRARACNR2RARG
SCHEMBL14766434 0.88 S1PR1 (0.45) S1PR1RARBRARACNR2RARG
SCHEMBL14765992 0.88 S1PR1 (0.46) S1PR1RARBRARACNR2RARG
SCHEMBL14766725 0.88 CNR2 (0.35) S1PR1RARBCNR2GLASMN1; SMN2
SCHEMBL12738903 0.87 S1PR1 (0.44) S1PR1RARBRARACNR2RARG
SCHEMBL12738910 0.86 S1PR1 (0.40) S1PR1RARBRARACNR2RARG
SCHEMBL12738907 0.86 S1PR1 (0.40) S1PR1RARBRARACNR2RARG
SCHEMBL14765754 0.86 S1PR1 (0.48) S1PR1RARBRARACNR2RARG

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