SCHEMBL8960844

SCHEMBL8960844

CCCCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCCCCCC)CC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.34
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
S1PR1 P21453 2/20 0.32
FPR2 P25090 1/20 0.32
OPRL1 P41146 5/20 0.32
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SCN9A Q15858 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL8961016 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8960889 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8961251 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8960636 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8960906 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8961242 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8960509 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8960997 1.00 PTPN11 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8960349 0.99 FFAR4 (0.33) PTPN11PTPN1PTPN6FFAR4S1PR1
SCHEMBL8961095 0.98 S1PR1 (0.34) PTPN11PTPN1PTPN6FFAR4S1PR1

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