SCHEMBL28463510

SCHEMBL28463510

CN(CCN(CC(O)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
GBA1 P04062 1/20 0.33
GPR88 Q9GZN0 1/20 0.31
PDK2 Q15119 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
SCHEMBL28463509 1.00 CA14 (0.35) CA14GBA1GPR88PDK2
SCHEMBL22711187 0.85 CA14 (0.36) CA14GBA1GPR88
SCHEMBL22711184 0.85 CA14 (0.36) CA14GBA1GPR88
SCHEMBL14750621 0.84 MEN1 (0.34) CA14GBA1
SCHEMBL23732293 0.83 CA14 (0.35) CA14GPR88
SCHEMBL3775087 0.81 CTSK (0.37) CA14GBA1GPR88PDK2
SCHEMBL16517171 0.81 CTSK (0.37) CA14GBA1GPR88PDK2
SCHEMBL8016966 0.80 MME (0.39) CA14
SCHEMBL1246511 0.80 MME (0.39) CA14
SCHEMBL10260946 0.78 HDAC6 (0.40) CA14GBA1PDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111670187-B Beta-lactamase inhibitor and use thereof 苏州信诺维医药科技有限公司 2021-04-16 CN disclosed
CN-111670187-A Beta-lactamase inhibitor and use thereof 苏州信诺维医药科技有限公司 2020-09-15 CN disclosed