SCHEMBL2012475

SCHEMBL2012475

O=C(O)[C@H](CO)N[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.51
▸ GAA P10253 1/20 0.51
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 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
SCHEMBL3801496 1.00 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL27997210 1.00 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL20476841 1.00 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL867964 1.00 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL28419458 1.00 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL29550937 0.98 PYGB (0.49) PYGBGAACA12CA1CA2
SCHEMBL7048684 0.87 PYGB (0.49) PYGBGAACA12CA1CA2
SCHEMBL2848040 0.86 PYGB (0.44) PYGBGAACA12CA1CA2
SCHEMBL4006332 0.86 PYGB (0.44) PYGBGAACA12CA1CA2
SCHEMBL670576 0.86 PYGB (0.44) PYGBGAACA12CA1CA2

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
WO-2011068165-A1 IDENTIFICATION AND INHIBITION OF PLANT-DERIVED SUGAR-CHAIN-ADDED ENZYME GENE 独立行政法人産業技術総合研究所 (JP) 2011-06-09 — — WO disclosed
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