SCHEMBL9942532

SCHEMBL9942532

COc1ccc(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)cc1O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.66
▸ CA12 O43570 6/20 0.59
▸ CA9 Q16790 6/20 0.59
▸ CA1 P00915 5/20 0.59
▸ CA2 P00918 2/20 0.59
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ PTPN1 P18031 1/20 0.53
▸ PRKCA P17252 2/20 0.52
▸ LDHA P00338 1/20 0.52
▸ SYNJ2 O15056 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49

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 0.92 SNCA (0.66) SNCACA12CA9CA1CA2
SCHEMBL15711514 0.92 SNCA (0.66) SNCACA12CA9CA1CA2
SCHEMBL546975 0.92 SNCA (0.66) SNCACA12CA9CA1CA2
SCHEMBL15438013 0.91 SNCA (0.64) SNCACA12CA9CA1CA2
SCHEMBL15147273 0.88 GAA (0.65) SNCAGAATDP1PRKCAALDH1A1
SCHEMBL3986428 0.88 GAA (0.65) SNCAGAATDP1PRKCAALDH1A1
SCHEMBL546757 0.88 GAA (0.65) SNCAGAATDP1PRKCAALDH1A1
SCHEMBL2333086 0.88 GAA (0.65) SNCAGAATDP1PRKCAALDH1A1
SCHEMBL15144478 0.88 GAA (0.65) SNCAGAATDP1PRKCAALDH1A1
SCHEMBL31487400 0.88 GAA (0.65) SNCAGAATDP1PRKCAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463366-A9 NOVEL GLYCOSYLTRANSFERASE, NOVEL GLYCOSYLTRANSFERASE GENE, AND NOVEL GLYCOSYL DONOR COMPOUND National University Corporation Tokyo University Of Agriculture and Technology (JP) 2013-01-16 — — EP disclosed
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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