SCHEMBL8960349

SCHEMBL8960349

CCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.33
S1PR1 P21453 1/20 0.33
FPR2 P25090 1/20 0.33
OPRL1 P41146 8/20 0.32
PTPN11 Q06124 3/20 0.32
DGAT1 O75907 1/20 0.32
SCN9A Q15858 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AVPR2 P30518 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL8960636 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8961016 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8961251 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960906 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960509 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960997 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960844 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960889 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8961242 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960538 0.98 S1PR1 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11

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