SCHEMBL5486606

SCHEMBL5486606

CCCCCC(COC(=O)OCC(CCCCC)OCC(CC)OC)OCC(CC)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ENPP2 Q13822 8/20 0.40
LPAR6 P43657 3/20 0.40
LPAR1 Q92633 3/20 0.40
LPAR4 Q99677 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
LPAR2 Q9HBW0 3/20 0.40
LPAR3 Q9UBY5 3/20 0.40
AKT1 P31749 3/20 0.38
AKT2 P31751 3/20 0.38
AKT3 Q9Y243 3/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL5478957 0.95 CA2 (0.46) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5486612 0.89 ZDHHC7 (0.41) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5479546 0.88 ALDH1A1 (0.37) ZDHHC7CA1CA2ALDH1A1LMNA
SCHEMBL5480675 0.87 ZDHHC7 (0.43) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5476435 0.86 ENPP2 (0.34) CA1CA2ENPP2LPAR6LPAR1
SCHEMBL5478961 0.84 CA2 (0.45) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5489531 0.83 CA2 (0.39) CA1CA2ALDH1A1LMNA
SCHEMBL5476615 0.81 CA2 (0.38) CA1CA2LPAR1LPAR3ALDH1A1
SCHEMBL1470166 0.81 ALDH1A1 (0.42) CA1CA2ENPP2LPAR6LPAR1
SCHEMBL1471736 0.81 AKT1 (0.48) ENPP2LPAR6LPAR1LPAR4LPAR5

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
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 EP disclosed