SCHEMBL7306858

SCHEMBL7306858

CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.67
CTSK P43235 8/20 0.64
CTSL P07711 7/20 0.62
CTSB P07858 4/20 0.60
CTSS P25774 2/20 0.60
HTRA1 Q92743 1/20 0.59

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
SCHEMBL7306872 1.00 CAPN1 (0.67) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7300598 0.96 CAPN1 (0.62) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7300590 0.96 CAPN1 (0.62) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7312669 0.95 CTSK (0.67) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7312656 0.95 CTSK (0.67) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7304325 0.94 CAPN1 (0.60) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7304340 0.94 CAPN1 (0.60) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7314141 0.93 CTSK (0.68) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7314157 0.93 CTSK (0.68) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7312152 0.91 CTSL (0.59) CAPN1CTSKCTSLCTSBCTSS

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