SCHEMBL7303357

SCHEMBL7303357

CC(C)CC(CNC(Cc1ccccc1)C(=O)CSCc1ccco1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
ATM Q13315 1/20 0.44
REN P00797 7/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
APP P05067 2/20 0.42
ACE P12821 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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 0.89 PSMB1 (0.48) CTSSCTSKCTSLCTSBPSMB1
SCHEMBL7312640 0.89 PSMB1 (0.44) CTSSCTSKCTSLCTSBPSMB1
SCHEMBL7307063 0.89 PSMB1 (0.48) CTSSCTSKCTSLCTSBPSMB1
SCHEMBL7303213 0.89 PSMB1 (0.41) CTSKCTSLPSMB1PSMB5PSMB2
SCHEMBL7340544 0.87 ACE (0.54) CTSSCTSKATMRENCTSL
SCHEMBL7340534 0.87 ACE (0.54) CTSSCTSKATMRENCTSL
SCHEMBL7301797 0.87 CTSK (0.42) CTSSCTSKRENCTSLCTSB
SCHEMBL7303359 0.86 REN (0.57) CTSSCTSKRENCTSLCTSB
SCHEMBL7303351 0.86 REN (0.57) CTSSCTSKRENCTSLCTSB
SCHEMBL8680990 0.85 ALDH1A1 (0.40) CTSSCTSKRENCTSLMEN1

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