SCHEMBL23959803

SCHEMBL23959803

C[C@]1(C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCc2ccccc2)NC(=O)CNN2CCSCC2)CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 14/20 0.48
PSMB2 P49721 7/20 0.48
PSMB8 P28062 6/20 0.48
PSMB10 P40306 6/20 0.48
PSMB9 P28065 6/20 0.48
PSMB1 P20618 5/20 0.48
PSMB11 A5LHX3 4/20 0.48
PSMA7 O14818 4/20 0.48
PSMA1 P25786 4/20 0.48
PSMA2 P25787 4/20 0.48
PSMA3 P25788 4/20 0.48
PSMA4 P25789 4/20 0.48
PSMA5 P28066 4/20 0.48
PSMB4 P28070 4/20 0.48
PSMB6 P28072 4/20 0.48
PSMB3 P49720 4/20 0.48
PSMA6 P60900 4/20 0.48
PSMA8 Q8TAA3 4/20 0.48
PSMB7 Q99436 4/20 0.48
PSMD11 O00231 1/20 0.48

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
SCHEMBL23959826 0.89 PSMB5 (0.47) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL23959807 0.84 PSMB5 (0.69) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL8280697 0.84 PSMB5 (0.49) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL8446152 0.83 PSMB5 (0.58) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL8081495 0.83 PSMB5 (0.69) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL12952611 0.83 PSMB5 (0.69) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL22852888 0.83 PSMB5 (0.58) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL23959833 0.79 PSMB5 (0.64) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL8269345 0.79 PSMB5 (0.45) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL12957260 0.79 PSMB5 (0.62) PSMB5PSMB2PSMB8PSMB10PSMB9

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-2021216670-A1 INHIBITORS OF HUMAN EPIDIDYMUS PROTEIN 4 UNIVERSITY OF ROCHESTER (US) 2021-10-28 WO disclosed