SCHEMBL5486612

SCHEMBL5486612

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ENPP2 Q13822 8/20 0.40
LPAR6 P43657 3/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR4 Q99677 3/20 0.39
LPAR5 Q9H1C0 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL5478961 0.95 CA2 (0.45) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5486606 0.89 ZDHHC7 (0.42) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5479550 0.88 GPR84 (0.39) ZDHHC7CA1CA2GPR84FFAR1
SCHEMBL5480682 0.87 ZDHHC7 (0.42) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5476439 0.87 ENPP2 (0.33) CA1CA2ENPP2LPAR6LPAR1
SCHEMBL5478957 0.84 CA2 (0.46) ZDHHC7CA1CA2ENPP2LPAR6
SCHEMBL5489533 0.83 CA2 (0.41) CA1CA2GPR84FFAR1MAPT
SCHEMBL5476617 0.82 CA2 (0.40) CA1CA2LPAR1LPAR3ALDH1A1
SCHEMBL12311547 0.82 ENPP2 (0.37) CA1CA2ENPP2LPAR6LPAR1
SCHEMBL11297776 0.80 LPAR1 (0.45) LPAR1LPAR2LPAR3GPR84FFAR1

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