SCHEMBL7307666

SCHEMBL7307666

CCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.48
SIRT1 Q96EB6 12/20 0.48
SIRT3 Q9NTG7 8/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
MAPT P10636 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL7307660 1.00 SIRT2 (0.48) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7302549 0.91 CTSL (0.48) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7302542 0.91 CTSL (0.48) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7431812 0.90 CTSL (0.55) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7431820 0.90 CTSL (0.55) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7444362 0.89 CTSL (0.53) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7444351 0.89 CTSL (0.53) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7311527 0.87 CTSL (0.47) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7444151 0.87 CTSL (0.47) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7305108 0.87 CTSL (0.52) SIRT2SIRT1SIRT3CTSLCTSS

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