SCHEMBL7314150

SCHEMBL7314150

COc1ccc(CC(NCC(CC(C)C)NC(=O)OCc2ccccc2)C(=O)CSC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.56
CTSL P07711 6/20 0.56
CTSS P25774 3/20 0.56
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
MMP1 P03956 3/20 0.47
ATM Q13315 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CAPN1 P07384 1/20 0.46
PTPN1 P18031 1/20 0.46
CTSB P07858 1/20 0.45
F2 P00734 1/20 0.45

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
SCHEMBL7306865 0.94 PSMB1 (0.56) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7300595 0.92 PSMB1 (0.52) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7304336 0.90 PSMB1 (0.53) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7312660 0.88 PSMB1 (0.60) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7314157 0.85 CTSK (0.68) CTSKCTSLCTSSMMP1CAPN1
SCHEMBL7314141 0.85 CTSK (0.68) CTSKCTSLCTSSMMP1CAPN1
SCHEMBL7306546 0.84 PSMB1 (0.54) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7302069 0.84 PSMB1 (0.54) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7304267 0.84 PSMB1 (0.54) CTSKCTSLCTSSPSMB1PSMB5
SCHEMBL7309277 0.84 PSMB1 (0.54) CTSKCTSLCTSSPSMB1PSMB5

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