SCHEMBL7303678

SCHEMBL7303678

CCCCC(NCC(CC(C)C)NC(=O)OCc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.49
CTSB P07858 6/20 0.49
CTSK P43235 7/20 0.47
CTSS P25774 5/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
CAPN1 P07384 2/20 0.42
CAPN2 P17655 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL7309495 0.93 CTSL (0.42) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7444358 0.93 CTSL (0.49) CTSLCTSBCTSKCTSSSIRT2
SCHEMBL7308231 0.92 PSMB1 (0.47) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7304537 0.92 CTSL (0.47) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7310742 0.92 CTSL (0.47) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7300639 0.92 PSMB1 (0.51) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7303857 0.92 CTSL (0.43) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7301707 0.91 PSMB1 (0.46) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7307063 0.90 PSMB1 (0.48) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL7304423 0.90 PSMB1 (0.48) CTSLCTSBCTSKCTSSPSMB1

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