SCHEMBL29795284

SCHEMBL29795284

CC(=O)N[C@@H](Cc1cccc(O)c1)B(O)O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 7/20 0.70
PSMB5 P28074 7/20 0.49
PSMB8 P28062 6/20 0.49
GRIA2 P42262 1/20 0.43

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
SCHEMBL28842033 1.00 CTRB1 (0.70) CTRB1PSMB5PSMB8GRIA2
SCHEMBL16280060 0.85 CTRB1 (0.70) CTRB1PSMB5PSMB8
SCHEMBL15075917 0.85 CTRB1 (0.70) CTRB1PSMB5PSMB8
SCHEMBL4315518 0.83 CTRB1 (0.71) CTRB1PSMB5PSMB8
SCHEMBL29795262 0.83 CTRB1 (0.71) CTRB1PSMB5PSMB8
SCHEMBL4270380 0.83 CTRB1 (0.71) CTRB1PSMB5PSMB8
SCHEMBL14377905 0.83 CTRB1 (0.71) CTRB1PSMB5PSMB8
SCHEMBL8751758 0.83 CTRB1 (1.00) CTRB1PSMB5PSMB8
SCHEMBL7356960 0.83 CTRB1 (1.00) CTRB1PSMB5PSMB8
SCHEMBL10958274 0.83 CTRB1 (1.00) CTRB1PSMB5PSMB8

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-114761413-B Carbapenem hydrolysis D-type beta-lactamase inhibitor and preparation method thereof 明知大学校产学协力团 2024-04-12 CN disclosed
CN-114761413-A Carbapenem hydrolysis D-type beta-lactamase inhibitor and preparation method thereof 明知大学校产学协力团 2022-07-15 CN disclosed