SCHEMBL21558228

SCHEMBL21558228

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B1O[C@@](C)(CCCCCCN)CN1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 15/20 0.56
PSMB1 P20618 11/20 0.52
PSMB2 P49721 10/20 0.52
LONP1 P36776 9/20 0.52
PSMB11 A5LHX3 9/20 0.52
PSMA7 O14818 9/20 0.52
PSMA1 P25786 9/20 0.52
PSMA2 P25787 9/20 0.52
PSMA3 P25788 9/20 0.52
PSMA4 P25789 9/20 0.52
PSMB8 P28062 9/20 0.52
PSMB9 P28065 9/20 0.52
PSMA5 P28066 9/20 0.52
PSMB4 P28070 9/20 0.52
PSMB6 P28072 9/20 0.52
PSMB10 P40306 9/20 0.52
PSMB3 P49720 9/20 0.52
PSMA6 P60900 9/20 0.52
PSMA8 Q8TAA3 9/20 0.52
PSMB7 Q99436 9/20 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
SCHEMBL464475 1.00 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL20093580 1.00 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL13130831 1.00 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL20093548 0.93 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL13130829 0.93 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL14754748 0.93 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL464426 0.93 PSMB5 (0.56) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL14712307 0.88 PSMB5 (0.52) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL20093530 0.88 PSMB5 (0.52) PSMB5PSMB1PSMB2LONP1PSMB11
SCHEMBL20365884 0.88 PSMB5 (0.52) PSMB5PSMB1PSMB2LONP1PSMB11

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-3566719-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES Cerulean Pharma Inc. (US) 2019-11-13 EP disclosed