SCHEMBL18848799

SCHEMBL18848799

CC(C)C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 17/20 0.78
LONP1 P36776 11/20 0.78
PSMB8 P28062 10/20 0.78
PSMB9 P28065 10/20 0.78
PSMB6 P28072 10/20 0.78
PSMB10 P40306 10/20 0.78
PSMB11 A5LHX3 9/20 0.78
PSMA7 O14818 9/20 0.78
PSMB1 P20618 9/20 0.78
PSMA1 P25786 9/20 0.78
PSMA2 P25787 9/20 0.78
PSMA3 P25788 9/20 0.78
PSMA4 P25789 9/20 0.78
PSMA5 P28066 9/20 0.78
PSMB4 P28070 9/20 0.78
PSMB3 P49720 9/20 0.78
PSMB2 P49721 9/20 0.78
PSMA6 P60900 9/20 0.78
PSMA8 Q8TAA3 9/20 0.78
PSMB7 Q99436 9/20 0.78

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
SCHEMBL16362648 1.00 PSMB5 (0.78) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL21558117 1.00 PSMB5 (0.78) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL464470 1.00 PSMB5 (0.78) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL16492912 1.00 PSMB5 (0.78) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL15145440 0.91 LONP1 (0.68) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL24390721 0.90 PSMB5 (0.80) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL16189897 0.90 PSMB5 (0.80) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL17403817 0.90 PSMB5 (0.80) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL1913443 0.90 PSMB5 (0.76) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL2125752 0.90 PSMB5 (0.76) PSMB5LONP1PSMB8PSMB9PSMB6

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