SCHEMBL6683934

SCHEMBL6683934

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.71
▸ GAA P10253 1/20 0.71
▸ CA1 P00915 5/20 0.54
▸ CA2 P00918 5/20 0.54
▸ CA9 Q16790 5/20 0.54
▸ CA12 O43570 3/20 0.54
▸ AKR1B1 P15121 1/20 0.51

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
SCHEMBL14106417 1.00 PYGB (0.71) PYGBGAACA1CA2CA9
SCHEMBL18376631 1.00 PYGB (0.71) PYGBGAACA1CA2CA9
SCHEMBL1333011 0.98 PYGB (0.68) PYGBGAACA1CA2CA9
SCHEMBL13745906 0.87 PYGB (0.77) PYGBGAACA1CA2CA9
SCHEMBL28200722 0.86 PYGB (0.75) PYGBGAACA1CA2CA9
SCHEMBL11440610 0.83 PYGB (0.67) PYGBGAACA1CA2CA9
SCHEMBL5961314 0.83 PYGB (1.00) PYGBGAACA1CA2CA9
SCHEMBL12658049 0.83 PYGB (0.71) PYGBGAACA1CA2CA9
SCHEMBL13541662 0.83 PYGB (0.71) PYGBGAACA1CA2CA9
SCHEMBL4173060 0.83 PYGB (1.00) PYGBGAACA1CA2CA9

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-2004067732-A2 POLYMER CARRIERS WITH BONDED SACCHARIDES FOR IMMOBILIZATION OF BIOLOGICAL SYSTEMS ÚSTAV MAKROMOLEKULÁRNÍ CHEMIE AKADEMIE VEDCESKÉ REPUBLIKY (CZ) 2004-08-12 — — WO disclosed
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