SCHEMBL7310239

SCHEMBL7310239

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)CSCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.49
CTSK P43235 11/20 0.49
CTSS P25774 8/20 0.48
CTSL P07711 6/20 0.47
CTSB P07858 2/20 0.47
MMP3 P08254 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
SCHEMBL7310229 1.00 REN (0.49) RENCTSKCTSSCTSLCTSB
SCHEMBL7310383 0.91 CTSS (0.48) CTSKCTSSCTSLCTSB
SCHEMBL7310376 0.91 CTSS (0.48) CTSKCTSSCTSLCTSB
SCHEMBL7300633 0.90 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7300643 0.90 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7310234 0.89 CTSK (0.46) RENCTSKCTSSCTSLCTSB
SCHEMBL7437245 0.88 CAPN1 (0.46) RENCTSKCTSS
SCHEMBL7437237 0.88 CAPN1 (0.46) RENCTSKCTSS
SCHEMBL7304416 0.87 CAPN1 (0.57) CTSKCTSSCTSLCTSB
SCHEMBL7307053 0.87 CAPN1 (0.57) CTSKCTSSCTSLCTSB

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