SCHEMBL8940708

SCHEMBL8940708

CCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.33
FPR2 P25090 2/20 0.33
FASN P49327 1/20 0.32
S1PR1 P21453 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PLA2G2D Q9UNK4 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
SCHEMBL8940718 0.99 PTPN11 (0.35) PTPN11FPR2FASNS1PR1GRIN1
SCHEMBL8940777 0.99 PTPN11 (0.35) PTPN11FPR2FASNS1PR1GRIN1
SCHEMBL8940753 0.99 PTPN11 (0.35) PTPN11FPR2FASNS1PR1GRIN1
SCHEMBL8940828 0.99 PTPN11 (0.35) PTPN11FPR2FASNS1PR1GRIN1
SCHEMBL8940751 0.97 S1PR1 (0.34) PTPN11FPR2FASNS1PR1GRIN1
SCHEMBL8941011 0.96 PTPN11 (0.33) PTPN11FPR2S1PR1GRIN1GRIN2B
SCHEMBL18718258 0.96 FPR2 (0.33) PTPN11FPR2FASNGRIN1GRIN2B
SCHEMBL8941390 0.95 PTPN11 (0.35) PTPN11FPR2S1PR1GRIN1GRIN2B
SCHEMBL8940982 0.95 PTPN11 (0.35) PTPN11FPR2S1PR1GRIN1GRIN2B
SCHEMBL8941333 0.95 PTPN11 (0.35) PTPN11FPR2S1PR1GRIN1GRIN2B

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