SCHEMBL8940715

SCHEMBL8940715

CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.34
FASN P49327 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
PDE4D Q08499 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
SCHEMBL18718259 0.96 FPR2 (0.37) FPR2FASNFFAR4GRIN1GRIN2B
SCHEMBL8940751 0.95 S1PR1 (0.34) FPR2FASNFFAR4GRIN1GRIN2B
SCHEMBL8940928 0.95 GRIN1 (0.35) FPR2FASNFFAR4GRIN1GRIN2B
SCHEMBL8940708 0.94 PTPN11 (0.33) FPR2FASNGRIN1GRIN2B
SCHEMBL8940777 0.94 PTPN11 (0.35) FPR2FASNGRIN1GRIN2B
SCHEMBL8940828 0.94 PTPN11 (0.35) FPR2FASNGRIN1GRIN2B
SCHEMBL8940753 0.94 PTPN11 (0.35) FPR2FASNGRIN1GRIN2B
SCHEMBL8940718 0.94 PTPN11 (0.35) FPR2FASNGRIN1GRIN2B
SCHEMBL8940916 0.94 FPR2 (0.33) FPR2FFAR4GRIN1GRIN2BHTR2C
SCHEMBL8941317 0.93 FPR2 (0.33) FPR2FFAR4GRIN1GRIN2BHTR2C

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