SCHEMBL29795262

SCHEMBL29795262

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 7/20 0.71
PSMB8 P28062 4/20 0.50
PSMB5 P28074 4/20 0.50
FOLH1 Q04609 4/20 0.50
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49

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
SCHEMBL4315518 1.00 CTRB1 (0.71) CTRB1PSMB8PSMB5FOLH1ANPEP
SCHEMBL14377905 1.00 CTRB1 (0.71) CTRB1PSMB8PSMB5FOLH1ANPEP
SCHEMBL4270380 1.00 CTRB1 (0.71) CTRB1PSMB8PSMB5FOLH1ANPEP
SCHEMBL3659451 0.85 PSMB5 (0.68) CTRB1PSMB8PSMB5FOLH1
SCHEMBL13846042 0.85 PSMB5 (0.68) CTRB1PSMB8PSMB5FOLH1
SCHEMBL8751758 0.84 CTRB1 (1.00) CTRB1PSMB8PSMB5
SCHEMBL7356960 0.84 CTRB1 (1.00) CTRB1PSMB8PSMB5
SCHEMBL10958274 0.84 CTRB1 (1.00) CTRB1PSMB8PSMB5
SCHEMBL15075917 0.83 CTRB1 (0.70) CTRB1PSMB8PSMB5
SCHEMBL29795284 0.83 CTRB1 (0.70) CTRB1PSMB8PSMB5

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