SCHEMBL8941317

SCHEMBL8941317

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.33
PTPN11 Q06124 1/20 0.32
S1PR1 P21453 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR2A P28223 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
SCHEMBL8940916 0.99 FPR2 (0.33) FPR2PTPN11S1PR1FFAR4GRIN1
SCHEMBL8941333 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941390 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941071 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941126 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8940982 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941129 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941370 0.97 PTPN11 (0.33) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941257 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B
SCHEMBL8941135 0.97 PTPN11 (0.35) FPR2PTPN11S1PR1GRIN1GRIN2B

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