SCHEMBL8970853

SCHEMBL8970853

CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(COC4COC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
RET P07949 1/20 0.31
PTPN11 Q06124 2/20 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
SCHEMBL8971025 1.00 NAAA (0.32) NAAARETPTPN11PLA2G2D
SCHEMBL8970851 0.92 NAAA (0.41) NAAAPTPN11
SCHEMBL8970864 0.87 RARB (0.37) NAAAPTPN11
SCHEMBL8969780 0.85 CNR2 (0.34)
SCHEMBL8969882 0.85 CNR2 (0.34)
SCHEMBL8969591 0.85 CNR2 (0.34)
SCHEMBL8970766 0.85 CNR2 (0.32) NAAAPTPN11
SCHEMBL8970743 0.85 GABRA1 (0.32) NAAA
SCHEMBL8970621 0.84 ALDH1A1 (0.34) PTPN11
SCHEMBL8970598 0.84 ALDH1A1 (0.34) PTPN11

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