SCHEMBL19387801

SCHEMBL19387801

O=C(c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC2CCC2)B(O)O)c1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 10/20 0.45
▸ PSMB8 P28062 7/20 0.45
▸ PSMB9 P28065 7/20 0.45
▸ PSMB6 P28072 7/20 0.45
▸ PSMB10 P40306 7/20 0.45
▸ PSMB11 A5LHX3 6/20 0.45
▸ PSMA7 O14818 6/20 0.45
▸ PSMB1 P20618 6/20 0.45
▸ PSMA1 P25786 6/20 0.45
▸ PSMA2 P25787 6/20 0.45
▸ PSMA3 P25788 6/20 0.45
▸ PSMA4 P25789 6/20 0.45
▸ PSMA5 P28066 6/20 0.45
▸ PSMB4 P28070 6/20 0.45
▸ LONP1 P36776 6/20 0.45
▸ PSMB3 P49720 6/20 0.45
▸ PSMB2 P49721 6/20 0.45
▸ PSMA6 P60900 6/20 0.45
▸ PSMA8 Q8TAA3 6/20 0.45
▸ PSMB7 Q99436 6/20 0.45

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
SCHEMBL3148761 0.92 PSMB5 (0.54) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL12225587 0.89 PSMB5 (0.51) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL16459581 0.83 F2 (0.48) F2ST14TMPRSS6F10PLG
SCHEMBL19687309 0.80 ALDH1A1 (0.42) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL16459579 0.80 CTSL (0.43) F2ST14TMPRSS6F10PLG
SCHEMBL19387844 0.77 F2 (0.44) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL19686572 0.75 PSMB5 (0.49) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL19387845 0.75 PSMB5 (0.70) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL13380914 0.74 PSMB5 (0.49) PSMB5PSMB8PSMB9PSMB6PSMB10
SCHEMBL3148972 0.72 NPY5R (0.56) 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
US-9771381-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-26 — — US disclosed
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