SCHEMBL18024968

SCHEMBL18024968

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnccn1)B(O)O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 16/20 0.89
▸ LONP1 P36776 11/20 0.89
▸ PSMB8 P28062 8/20 0.89
▸ PSMB9 P28065 8/20 0.89
▸ PSMB6 P28072 8/20 0.89
▸ PSMB10 P40306 8/20 0.89
▸ PSMB11 A5LHX3 7/20 0.89
▸ PSMA7 O14818 7/20 0.89
▸ PSMB1 P20618 7/20 0.89
▸ PSMA1 P25786 7/20 0.89
▸ PSMA2 P25787 7/20 0.89
▸ PSMA3 P25788 7/20 0.89
▸ PSMA4 P25789 7/20 0.89
▸ PSMA5 P28066 7/20 0.89
▸ PSMB4 P28070 7/20 0.89
▸ PSMB3 P49720 7/20 0.89
▸ PSMB2 P49721 7/20 0.89
▸ PSMA6 P60900 7/20 0.89
▸ PSMA8 Q8TAA3 7/20 0.89
▸ PSMB7 Q99436 7/20 0.89

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
SCHEMBL18024967 1.00 PSMB5 (0.89) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL15699394 0.95 PSMB5 (0.84) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL18024956 0.95 PSMB5 (0.98) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8099424 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8035134 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL29377226 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL192129 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL466239 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL3676 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8049740 0.94 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6

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
US-9421237-B2 Tripeptide boronic acid or boronic ester, preparative method and use thereof PEKING UNIVERSITY (CN) 2016-08-23 — — US disclosed
Send feedback