SCHEMBL8970751

SCHEMBL8970751

CCCCCOc1ccc(-c2ccc(-c3ccc(COC4OCC(CCCCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.39
CTSK P43235 1/20 0.32
GBA1 P04062 2/20 0.32
LCT P09848 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
FPR2 P25090 1/20 0.31
PTPN11 Q06124 1/20 0.31
PPARD Q03181 1/20 0.31
CNR2 P34972 4/20 0.30
CNR1 P21554 3/20 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
SCHEMBL8970766 0.91 CNR2 (0.32) NAAAPTPN11CNR2CNR1
SCHEMBL8969598 0.88 S1PR1 (0.33) NAAAFPR2PTPN11PPARDCNR2
SCHEMBL8969744 0.87 CNR2 (0.33) NAAAPTPN11CNR2CNR1
SCHEMBL8971099 0.86 RARB (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8970851 0.86 NAAA (0.41) NAAACTSKGBA1LCTUGCG
SCHEMBL8972166 0.84 S1PR1 (0.31) FPR2PTPN11
SCHEMBL8971187 0.83 NAAA (0.41) NAAACTSKGBA1LCTUGCG
SCHEMBL8950130 0.83 FPR2 (0.35) FPR2PTPN11
SCHEMBL8969239 0.83 CNR2 (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL8950136 0.83 PTPN11 (0.34) FPR2PTPN11

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