SCHEMBL30731585

SCHEMBL30731585

CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 13/20 0.71
PSMB8 P28062 6/20 0.71
PSMB9 P28065 6/20 0.71
PSMB6 P28072 6/20 0.71
PSMB10 P40306 6/20 0.71
PSMB1 P20618 6/20 0.71
PSMB2 P49721 6/20 0.71
PSMB11 A5LHX3 5/20 0.71
PSMA7 O14818 5/20 0.71
PSMA1 P25786 5/20 0.71
PSMA2 P25787 5/20 0.71
PSMA3 P25788 5/20 0.71
PSMA4 P25789 5/20 0.71
PSMA5 P28066 5/20 0.71
PSMB4 P28070 5/20 0.71
PSMB3 P49720 5/20 0.71
PSMA6 P60900 5/20 0.71
PSMA8 Q8TAA3 5/20 0.71
PSMB7 Q99436 5/20 0.71
NFKB1 P19838 1/20 0.71

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
SCHEMBL20257209 1.00 PSMB5 (0.71) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL20510120 1.00 PSMB5 (0.71) PSMB5PSMB8PSMB9PSMB6PSMB10
Boric Acid SCHEMBL28252762 0.91 PSMB5 (0.67) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL20177369 0.89 PSMB5 (0.57) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL23969555 0.88 PSMB5 (0.68) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL19934853 0.87 PSMB5 (0.74) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL16271866 0.87 PSMB5 (0.74) PSMB5PSMB8PSMB9PSMB6PSMB10
Citric Acid SCHEMBL28456013 0.87 PSMB5 (0.74) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL21210594 0.85 PSMB5 (0.71) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL18477664 0.85 PSMB5 (0.71) PSMB5PSMB8PSMB9PSMB6PSMB10

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
CN-110799193-B Copper and nickel catalyzed decarboxylation borylation 斯克利普斯研究院 2023-12-12 CN disclosed