SCHEMBL1406263

SCHEMBL1406263

CC(C)C[C@H](N)B(O)O.O=C(N[C@@H](Cc1ccccc1)C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 12/20 0.47
LONP1 P36776 4/20 0.47
PSMB1 P20618 4/20 0.47
PSMB2 P49721 4/20 0.47
PSMB11 A5LHX3 3/20 0.47
PSMA7 O14818 3/20 0.47
PSMA1 P25786 3/20 0.47
PSMA2 P25787 3/20 0.47
PSMA3 P25788 3/20 0.47
PSMA4 P25789 3/20 0.47
PSMB8 P28062 3/20 0.47
PSMB9 P28065 3/20 0.47
PSMA5 P28066 3/20 0.47
PSMB4 P28070 3/20 0.47
PSMB6 P28072 3/20 0.47
PSMB10 P40306 3/20 0.47
PSMB3 P49720 3/20 0.47
PSMA6 P60900 3/20 0.47
PSMA8 Q8TAA3 3/20 0.47
PSMB7 Q99436 3/20 0.47

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
SCHEMBL1406198 0.89 PSMB5 (0.61) PSMB5LONP1PSMB1PSMB2PSMB11
SCHEMBL234157 0.84 PSMB5 (0.54) PSMB5LONP1PSMB1PSMB2PSMB11
SCHEMBL1406094 0.83 CTSL (0.41) PSMB5LONP1PSMB1PSMB2PSMB11
Leucine SCHEMBL3816604 0.75 GPR132 (0.53) PSMB5LONP1PSMB1PSMB2PSMB11
SCHEMBL15689578 0.74 PSMB5 (0.66) PSMB5CA1CA2CTRB1CTSL
SCHEMBL6860349 0.74 ECE1 (0.62) CTSLLMNAECE1GPR132CMKLR2
Leucine SCHEMBL1406326 0.73 GPR132 (0.56) PSMB5LMNAECE1GPR132CMKLR2
SCHEMBL1406021 0.73 PSMB5 (0.51) PSMB5LONP1PSMB1PSMB2PSMB11
SCHEMBL234139 0.72 PSMB5 (0.71) PSMB5LONP1PSMB1PSMB2PSMB11
SCHEMBL3202113 0.71 GPR132 (0.53) PSMB5LMNAECE1GPR132CMKLR2

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
EP-1355910-B1 FORMULATION OF BORONIC ACID COMPOUNDS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2011-03-09 EP claimed