SCHEMBL7438433

SCHEMBL7438433

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1cccc2ccccc12)C(=O)CSCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSB P07858 3/20 0.50
REN P00797 1/20 0.49
CTSL P07711 4/20 0.48
CAPN1 P07384 2/20 0.46
CASP3 P42574 1/20 0.46
CASP1 P29466 1/20 0.46
CTSS P25774 1/20 0.45

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
SCHEMBL7307053 0.90 CAPN1 (0.57) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7304416 0.90 CAPN1 (0.57) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7304428 0.90 CAPN1 (0.57) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7303036 0.89 CTSL (0.51) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7303048 0.89 CTSL (0.51) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7300643 0.89 CTSK (0.56) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7300633 0.89 CTSK (0.56) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7312840 0.87 CTSL (0.51) CTSKCTSBCTSLCAPN1CASP1
SCHEMBL7304542 0.86 CTSL (0.62) CTSKCTSBCTSLCAPN1CTSS
SCHEMBL7304532 0.86 CTSL (0.62) CTSKCTSBCTSLCAPN1CTSS

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 3 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