SCHEMBL7433236

SCHEMBL7433236

CC(C)CC(CNC(Cc1ccccc1)C(=O)CSCc1ccco1)NC(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
PPARA Q07869 2/20 0.45
CTSK P43235 4/20 0.44
ALDH1A1 P00352 1/20 0.42
CTSL P07711 3/20 0.42
CAPN1 P07384 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL7304423 0.95 PSMB1 (0.48) PSMB1PSMB5PSMB2CTSKCTSL
SCHEMBL7307063 0.95 PSMB1 (0.48) PSMB1PSMB5PSMB2CTSKCTSL
SCHEMBL7308188 0.92 PSMB1 (0.44) PSMB1PSMB5PSMB2CTSKCTSL
SCHEMBL7312640 0.92 PSMB1 (0.44) PSMB1PSMB5PSMB2CTSKALDH1A1
SCHEMBL7303779 0.91 PSMB1 (0.44) PSMB1PSMB5PSMB2CTSKCTSL
SCHEMBL7300639 0.90 PSMB1 (0.51) PSMB1PSMB5PSMB2CTSKCTSL
SCHEMBL7435127 0.90 PSMB1 (0.40) PSMB1PSMB5PSMB2CTSKALDH1A1
SCHEMBL7303044 0.90 PSMB1 (0.44) PSMB1PSMB5PSMB2PPARACTSK
SCHEMBL7303213 0.89 PSMB1 (0.41) PSMB1PSMB5PSMB2CTSKALDH1A1
SCHEMBL7310291 0.88 CTSL (0.51) PSMB1PSMB5PSMB2CTSKCTSL

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 3 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