SCHEMBL8970851

SCHEMBL8970851

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(COC4COC(CCCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 15/20 0.41
GBA1 P04062 2/20 0.35
LCT P09848 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
CTSK P43235 2/20 0.34
PTPN11 Q06124 2/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
FPR2 P25090 1/20 0.31

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
SCHEMBL8971025 0.92 NAAA (0.32) NAAAPTPN11
SCHEMBL8970853 0.92 NAAA (0.32) NAAAPTPN11
SCHEMBL8970864 0.88 RARB (0.37) NAAAGBA1LCTUGCGGBA2
SCHEMBL8969744 0.87 CNR2 (0.33) NAAAPTPN11
SCHEMBL8970751 0.86 NAAA (0.39) NAAAGBA1LCTUGCGGBA2
SCHEMBL8969598 0.86 S1PR1 (0.33) NAAAPTPN11FPR2
SCHEMBL8954956 0.84 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2
SCHEMBL8955053 0.84 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2
SCHEMBL8955134 0.84 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2
SCHEMBL8955113 0.84 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2

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