SCHEMBL8940751

SCHEMBL8940751

CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
FASN P49327 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
FPR2 P25090 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PTPN11 Q06124 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
SCHEMBL8940708 0.97 PTPN11 (0.33) S1PR1RARBRARAFASNGRIN1
SCHEMBL8940718 0.96 PTPN11 (0.35) S1PR1RARBRARAFASNGRIN1
SCHEMBL8940828 0.96 PTPN11 (0.35) S1PR1RARBRARAFASNGRIN1
SCHEMBL8940777 0.96 PTPN11 (0.35) S1PR1RARBRARAFASNGRIN1
SCHEMBL8940753 0.96 PTPN11 (0.35) S1PR1RARBRARAFASNGRIN1
SCHEMBL18718276 0.96 FPR2 (0.33) RARBRARAFASNGRIN1GRIN2B
SCHEMBL8941033 0.95 S1PR1 (0.33) S1PR1RARBRARAGRIN1GRIN2B
SCHEMBL8940715 0.95 FPR2 (0.34) FASNGRIN1GRIN2BFPR2FFAR4
SCHEMBL8941370 0.95 PTPN11 (0.33) S1PR1RARBRARAGRIN1GRIN2B
SCHEMBL8940928 0.94 GRIN1 (0.35) S1PR1FASNGRIN1GRIN2BFPR2

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