SCHEMBL16664307

SCHEMBL16664307

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
PYGB P11216 7/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 2/20 0.47
CD69 Q07108 1/20 0.44

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
SCHEMBL9302990 0.88 CA1 (0.60) CA1CA2CA9PYGBGAA
SCHEMBL9302995 0.88 CA1 (0.60) CA1CA2CA9PYGBGAA
SCHEMBL13308253 0.87 PYGB (0.70) CA1CA2CA9PYGBGAA
SCHEMBL18934182 0.86 PYGB (0.68) CA1CA2CA9PYGBGAA
SCHEMBL16190468 0.86 PYGB (0.68) CA1CA2CA9PYGBGAA
SCHEMBL14750544 0.86 PYGB (0.68) CA1CA2CA9PYGBGAA
SCHEMBL29363859 0.84 PYGB (0.50) CA1CA2CA9PYGBGAA
SCHEMBL7896886 0.84 PYGB (0.50) CA1CA2CA9PYGBGAA
SCHEMBL7896895 0.84 PYGB (0.50) CA1CA2CA9PYGBGAA
SCHEMBL1333011 0.83 PYGB (0.68) CA1CA2CA9PYGBGAA

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-2015056011-A1 N-GLYCOSYLATION OF PEPTIDES AND PROTEINS ISIS INNOVATION LIMITED (GB) 2015-04-23 WO disclosed