SCHEMBL7305711

SCHEMBL7305711

CCCCC(NCC(CC(C)C)NC(=O)OCc1ccccc1)C(=O)CSC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.52
CTSS P25774 4/20 0.52
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
CTSK P43235 8/20 0.49
CTSB P07858 3/20 0.47
CAPN1 P07384 2/20 0.46
CAPN2 P17655 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
SIRT3 Q9NTG7 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
SCHEMBL7302069 0.90 PSMB1 (0.54) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7304267 0.90 PSMB1 (0.54) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7312660 0.90 PSMB1 (0.60) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7306865 0.88 PSMB1 (0.56) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7306546 0.87 PSMB1 (0.54) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7303181 0.86 CTSL (0.49) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7300595 0.85 PSMB1 (0.52) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7303678 0.85 CTSL (0.49) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7302119 0.85 CTSL (0.55) CTSLCTSSPSMB1PSMB5PSMB2
SCHEMBL7305492 0.85 PSMB1 (0.46) CTSLCTSSPSMB1PSMB5PSMB2

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