SCHEMBL28680208

SCHEMBL28680208

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.37
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL29271806 1.00 PRKCA (0.37) PRKCAGBA1MAPTMAPK1
SCHEMBL27910728 0.85 PRKCA (0.37) PRKCAGBA1MAPTMAPK1
SCHEMBL27910718 0.84 CTSK (0.38) GBA1
SCHEMBL27834093 0.84 CTSK (0.38) GBA1
SCHEMBL27648605 0.84 CTSK (0.38) PRKCAGBA1
SCHEMBL28773695 0.84 CTSK (0.38) PRKCAGBA1
SCHEMBL28670288 0.84 PRKCA (0.36) PRKCAGBA1
SCHEMBL27726431 0.84 CTSK (0.38) GBA1
SCHEMBL29273401 0.83 PRKCA (0.38) PRKCAGBA1MAPTMAPK1
SCHEMBL27696914 0.83 CPB2 (0.34) PRKCAMAPTMAPK1

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
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed