SCHEMBL9942524

SCHEMBL9942524

COc1cc(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.65
▸ CA9 Q16790 7/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA1 P00915 5/20 0.58
▸ CA2 P00918 3/20 0.58
▸ PTGS1 P23219 2/20 0.56
▸ LDHA P00338 1/20 0.51
▸ PTPN1 P18031 1/20 0.50
▸ EPHX2 P34913 2/20 0.49
▸ PRKCA P17252 1/20 0.48
▸ MET P08581 1/20 0.48
▸ ELANE P08246 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL20944781 0.89 SNCA (0.66) SNCACA9CA12CA1CA2
SCHEMBL546975 0.89 SNCA (0.66) SNCACA9CA12CA1CA2
SCHEMBL15711514 0.89 SNCA (0.66) SNCACA9CA12CA1CA2
SCHEMBL15438013 0.88 SNCA (0.64) SNCACA9CA12CA1CA2
SCHEMBL2679399 0.87 SNCA (0.70) SNCACA9CA12CA1CA2
SCHEMBL9942532 0.87 SNCA (0.66) SNCACA9CA12CA1CA2
SCHEMBL546910 0.86 LDHA (0.65) SNCACA9CA12CA1CA2
SCHEMBL546911 0.86 LDHA (0.65) SNCACA9CA12CA1CA2
SCHEMBL30192596 0.86 LDHA (0.65) SNCACA9CA12CA1CA2
SCHEMBL15711524 0.86 LDHA (0.65) SNCACA9CA12CA1CA2

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-2463366-A1 NOVEL GLYCOSYLTRANSFERASE, NOVEL GLYCOSYLTRANSFERASE GENE, AND NOVEL GLYCOSYL DONOR COMPOUND National University Corporation Tokyo University Of Agriculture and Technology (JP) 2012-06-13 — — EP disclosed
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