SCHEMBL8960447

SCHEMBL8960447

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

nearest known ligand 0.33

Predicted protein targets (top 14)

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
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8960559 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960583 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960571 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960207 0.99 PTPN11 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960441 0.97 S1PR1 (0.35) FFAR4S1PR1OPRL1DGAT1SCN9A
SCHEMBL8934081 0.97 OPRL1 (0.34) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8960349 0.96 FFAR4 (0.33) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8934090 0.96 PTPN11 (0.35) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8933952 0.96 PTPN11 (0.35) FFAR4S1PR1FPR2OPRL1PTPN11
SCHEMBL8934318 0.96 PTPN11 (0.35) 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