SCHEMBL7308192

SCHEMBL7308192

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)CSCc1ccco1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.52
CTSK P43235 6/20 0.49
CTSL P07711 5/20 0.49
CTSB P07858 1/20 0.48
HTRA1 Q92743 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL7308182 1.00 CAPN1 (0.52) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7304428 0.95 CAPN1 (0.57) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7304416 0.95 CAPN1 (0.57) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7307053 0.95 CAPN1 (0.57) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7300494 0.92 CAPN1 (0.52) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7433240 0.92 CAPN1 (0.52) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7312633 0.92 CAPN1 (0.52) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7300643 0.91 CTSK (0.56) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7300633 0.91 CTSK (0.56) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7303786 0.91 CTSL (0.55) CAPN1CTSKCTSLCTSBHTRA1

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