SCHEMBL18848814

SCHEMBL18848814

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OCCCN(CCCC(=O)NC([PH](=O)O)[PH](=O)O)CCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 18/20 0.53
▸ PSMB1 P20618 13/20 0.49
▸ PSMB2 P49721 12/20 0.49
▸ PSMB8 P28062 12/20 0.49
▸ PSMB9 P28065 12/20 0.49
▸ PSMB6 P28072 12/20 0.49
▸ PSMB10 P40306 12/20 0.49
▸ PSMB11 A5LHX3 11/20 0.49
▸ PSMA7 O14818 11/20 0.49
▸ PSMA1 P25786 11/20 0.49
▸ PSMA2 P25787 11/20 0.49
▸ PSMA3 P25788 11/20 0.49
▸ PSMA4 P25789 11/20 0.49
▸ PSMA5 P28066 11/20 0.49
▸ PSMB4 P28070 11/20 0.49
▸ PSMB3 P49720 11/20 0.49
▸ PSMA6 P60900 11/20 0.49
▸ PSMA8 Q8TAA3 11/20 0.49
▸ PSMB7 Q99436 11/20 0.49
▸ LONP1 P36776 10/20 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
SCHEMBL18848830 0.95 PSMB5 (0.52) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848675 0.94 PSMB5 (0.51) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848698 0.93 PSMB5 (0.51) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848813 0.91 PSMB5 (0.49) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL24637980 0.91 PSMB5 (0.54) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL24637984 0.91 PSMB5 (0.54) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848496 0.91 PSMB5 (0.49) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL24637956 0.90 PSMB5 (0.52) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848510 0.90 PSMB5 (0.52) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18848777 0.89 PSMB5 (0.51) 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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