SCHEMBL28670967

SCHEMBL28670967

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PRKCA P17252 1/20 0.33
GBA1 P04062 1/20 0.31

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
SCHEMBL27716912 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28210013 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27893644 0.85 LMNA (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28882170 0.81 POLB (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27648191 0.81 POLB (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27770660 0.81 POLB (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28782957 0.79 KDM4E (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28872757 0.79 KDM4E (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27945526 0.78 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27926922 0.78 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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