SCHEMBL7300779

SCHEMBL7300779

CC(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.51
PSMB5 P28074 2/20 0.51
PSMB1 P20618 1/20 0.48
PSMB2 P49721 1/20 0.48
CTSD P07339 4/20 0.45
ACE P12821 1/20 0.44

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
SCHEMBL7300785 1.00 REN (0.51) RENPSMB5PSMB1PSMB2CTSD
SCHEMBL7342540 0.93 PSMB5 (0.47) RENPSMB5PSMB1PSMB2ACE
SCHEMBL7342545 0.93 PSMB5 (0.47) RENPSMB5PSMB1PSMB2ACE
SCHEMBL7301731 0.91 PSMB5 (0.47) RENPSMB5PSMB1PSMB2
SCHEMBL7301741 0.91 PSMB5 (0.47) RENPSMB5PSMB1PSMB2
SCHEMBL7301724 0.91 PSMB5 (0.47) RENPSMB5PSMB1PSMB2
SCHEMBL7312126 0.89 CTSG (0.46) RENPSMB5PSMB1PSMB2
SCHEMBL7312135 0.89 CTSG (0.46) RENPSMB5PSMB1PSMB2
SCHEMBL7303784 0.89 ALDH1A1 (0.49) RENPSMB5PSMB1PSMB2CTSD
SCHEMBL7303797 0.89 ALDH1A1 (0.49) RENPSMB5PSMB1PSMB2CTSD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed
EP-0525420-A1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors Mitsubishi Chemical Corporation (JP) 1993-02-03 EP disclosed