SCHEMBL18848516

SCHEMBL18848516

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OCCN(CCCC(=O)NC(C(=O)O)P(=O)(O)O)CCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 17/20 0.53
▸ PSMB1 P20618 12/20 0.50
▸ PSMB2 P49721 11/20 0.50
▸ PSMB8 P28062 11/20 0.50
▸ PSMB9 P28065 11/20 0.50
▸ PSMB6 P28072 11/20 0.50
▸ PSMB10 P40306 11/20 0.50
▸ PSMB11 A5LHX3 10/20 0.50
▸ PSMA7 O14818 10/20 0.50
▸ PSMA1 P25786 10/20 0.50
▸ PSMA2 P25787 10/20 0.50
▸ PSMA3 P25788 10/20 0.50
▸ PSMA4 P25789 10/20 0.50
▸ PSMA5 P28066 10/20 0.50
▸ PSMB4 P28070 10/20 0.50
▸ PSMB3 P49720 10/20 0.50
▸ PSMA6 P60900 10/20 0.50
▸ PSMA8 Q8TAA3 10/20 0.50
▸ PSMB7 Q99436 10/20 0.50
▸ LONP1 P36776 9/20 0.50

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
SCHEMBL18848510 0.96 PSMB5 (0.52) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL24637956 0.96 PSMB5 (0.52) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL20549905 0.94 PSMB5 (0.55) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL20549712 0.94 PSMB5 (0.55) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL24637970 0.94 PSMB5 (0.55) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848525 0.94 PSMB5 (0.55) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848519 0.94 PSMB5 (0.51) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848498 0.93 CTSL (0.47) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL24637950 0.92 PSMB5 (0.54) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848503 0.92 PSMB5 (0.55) PSMB5PSMB1PSMB2PSMB8PSMB9

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
WO-2017079262-A1 BORTEZOMIB CONJUGATES AND METHODS USING SAME UNIVERSITY OF ROCHESTER (US) 2017-05-11 — — WO disclosed
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