SCHEMBL7300834

SCHEMBL7300834

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.49
CTSB P07858 5/20 0.49
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
APC P25054 1/20 0.45
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.41
SIRT1 Q96EB6 3/20 0.41
SIRT3 Q9NTG7 3/20 0.41

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
SCHEMBL7300828 1.00 CTSL (0.49) CTSLCTSBCTSKCTSSMME
SCHEMBL7431812 0.93 CTSL (0.55) CTSLCTSBCTSKCTSSMME
SCHEMBL7431820 0.93 CTSL (0.55) CTSLCTSBCTSKCTSSMME
SCHEMBL7305148 0.92 CTSL (0.47) CTSLCTSBCTSKCTSSMME
SCHEMBL7305141 0.92 CTSL (0.47) CTSLCTSBCTSKCTSSMME
SCHEMBL7444351 0.91 CTSL (0.53) CTSLCTSBCTSKCTSSMME
SCHEMBL7444362 0.91 CTSL (0.53) CTSLCTSBCTSKCTSSMME
SCHEMBL7303685 0.91 CTSL (0.54) CTSLCTSBCTSKCTSS
SCHEMBL7303674 0.91 CTSL (0.54) CTSLCTSBCTSKCTSS
SCHEMBL7433553 0.91 CTSL (0.52) CTSLCTSBCTSKCTSSMME

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