SCHEMBL18875019

SCHEMBL18875019

CC(C)CC(NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 20/20 0.68
▸ PSMB2 P49721 18/20 0.68
▸ PSMB1 P20618 17/20 0.68
▸ PSMB8 P28062 16/20 0.68
▸ PSMB9 P28065 16/20 0.68
▸ PSMB10 P40306 16/20 0.68
▸ PSMB11 A5LHX3 15/20 0.68
▸ PSMA7 O14818 15/20 0.68
▸ PSMA1 P25786 15/20 0.68
▸ PSMA2 P25787 15/20 0.68
▸ PSMA3 P25788 15/20 0.68
▸ PSMA4 P25789 15/20 0.68
▸ PSMA5 P28066 15/20 0.68
▸ PSMB4 P28070 15/20 0.68
▸ PSMB6 P28072 15/20 0.68
▸ PSMB3 P49720 15/20 0.68
▸ PSMA6 P60900 15/20 0.68
▸ PSMA8 Q8TAA3 15/20 0.68
▸ PSMB7 Q99436 15/20 0.68
▸ PSMD11 O00231 1/20 0.60

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
SCHEMBL1709160 1.00 PSMB5 (0.68) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL2632873 1.00 PSMB5 (0.68) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL2633227 0.94 PSMB5 (0.69) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL84962 0.94 PSMB5 (0.69) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL18875020 0.92 PSMB5 (0.79) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL1709166 0.92 PSMB5 (0.79) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL2632709 0.92 PSMB5 (0.79) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL2633334 0.90 PSMB5 (0.68) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL2633220 0.90 PSMB5 (0.68) PSMB5PSMB2PSMB1PSMB8PSMB9
SCHEMBL18871669 0.90 PSMB5 (0.68) PSMB5PSMB2PSMB1PSMB8PSMB9

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-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
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