SCHEMBL21759005

SCHEMBL21759005

CC(C)CC(C)NC(=O)CNC(=O)c1cnccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.74
PSMB11 A5LHX3 6/20 0.74
PSMA7 O14818 6/20 0.74
PSMB1 P20618 6/20 0.74
PSMA1 P25786 6/20 0.74
PSMA2 P25787 6/20 0.74
PSMA3 P25788 6/20 0.74
PSMA4 P25789 6/20 0.74
PSMB8 P28062 6/20 0.74
PSMB9 P28065 6/20 0.74
PSMA5 P28066 6/20 0.74
PSMB4 P28070 6/20 0.74
PSMB6 P28072 6/20 0.74
PSMB10 P40306 6/20 0.74
PSMB3 P49720 6/20 0.74
PSMB2 P49721 6/20 0.74
PSMA6 P60900 6/20 0.74
PSMA8 Q8TAA3 6/20 0.74
PSMB7 Q99436 6/20 0.74
LONP1 P36776 11/20 0.52

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
SCHEMBL10344951 0.85 PSMB5 (1.00) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL18175253 0.83 PSMB5 (0.95) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL18175249 0.80 PSMB5 (0.84) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL8190135 0.80 PSMB11 (0.61) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL13593756 0.78 KDM4E (0.59) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL12340819 0.78 PSMB5 (0.79) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL18175254 0.77 PSMB5 (0.66) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL22757737 0.77 PSMB8 (0.58) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL8187046 0.77 PSMB11 (0.58) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL8185208 0.77 PSMB11 (0.58) PSMB5PSMB11PSMA7PSMB1PSMA1

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
EP-3371203-B1 BORTEZOMIB CONJUGATES AND METHODS USING SAME UNIV ROCHESTER (US) 2020-02-26 EP disclosed