SCHEMBL8935047

SCHEMBL8935047

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
FPR2 P25090 3/20 0.34
PTPN11 Q06124 5/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
SCN9A Q15858 1/20 0.31
S1PR1 P21453 1/20 0.31
PPARG P37231 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
SCHEMBL8935051 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8934975 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8935043 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8935057 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8935058 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8934979 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8934972 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8934966 1.00 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8934960 0.99 FPR2 (0.34) GAAMAPTFPR2PTPN11ALOX5AP
SCHEMBL8935040 0.98 GAA (0.35) GAAMAPTFPR2PTPN11ALOX5AP

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed