SCHEMBL20694530

SCHEMBL20694530

CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Br)ccc1Cl)B(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 18/20 0.81
PSMB8 P28062 8/20 0.81
PSMB9 P28065 8/20 0.81
PSMB6 P28072 8/20 0.81
PSMB10 P40306 8/20 0.81
PSMB11 A5LHX3 7/20 0.81
PSMA7 O14818 7/20 0.81
PSMB1 P20618 7/20 0.81
PSMA1 P25786 7/20 0.81
PSMA2 P25787 7/20 0.81
PSMA3 P25788 7/20 0.81
PSMA4 P25789 7/20 0.81
PSMA5 P28066 7/20 0.81
PSMB4 P28070 7/20 0.81
PSMB3 P49720 7/20 0.81
PSMB2 P49721 7/20 0.81
PSMA6 P60900 7/20 0.81
PSMA8 Q8TAA3 7/20 0.81
PSMB7 Q99436 7/20 0.81
NFKB1 P19838 1/20 0.79

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
Ixazomib SCHEMBL3742758 0.88 PSMB5 (1.00) PSMB5PSMB8PSMB9PSMB6PSMB10
Ixazomib SCHEMBL29353014 0.88 PSMB5 (1.00) PSMB5PSMB8PSMB9PSMB6PSMB10
Ixazomib SCHEMBL18088836 0.88 PSMB5 (1.00) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL21841184 0.88 PSMB5 (0.80) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL252153 0.86 PSMB5 (0.81) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL21977965 0.84 PSMB5 (0.58) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL29768798 0.84 PSMB5 (0.58) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL4796314 0.83 PSMB5 (0.74) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL20694721 0.83 PSMB5 (0.81) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL3753435 0.83 PSMB5 (0.85) PSMB5PSMB8PSMB9PSMB6PSMB10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851108-B1 BORATE-BASED DRUG AND USE THEREOF CHENGDU ORIGIN BIOTECHNOLOGY LTD COMPANY (CN) 2023-08-09 EP disclosed
EP-3851108-A1 BORATE-BASED DRUG AND USE THEREOF Chengdu Origin Biotechnology Limited Company (CN) 2021-07-21 EP disclosed
WO-2020052488-A1 BORATE-BASED DRUG AND USE THEREOF 成都奥璟生物科技有限公司 2020-03-19 WO disclosed
WO-2019020099-A1 BORATE COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USES THEREOF 成都地奥九泓制药厂 2019-01-31 WO disclosed