SCHEMBL7301769

SCHEMBL7301769

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)COCc1ccco1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.58
CTSK P43235 10/20 0.55
CTSL P07711 6/20 0.55
HTRA1 Q92743 1/20 0.53
CTSS P25774 3/20 0.52
CTSB P07858 2/20 0.52

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
SCHEMBL7301757 1.00 CAPN1 (0.58) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7304428 0.86 CAPN1 (0.57) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7304416 0.86 CAPN1 (0.57) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7307053 0.86 CAPN1 (0.57) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7301764 0.86 PSMB1 (0.49) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7311465 0.85 CAPN1 (0.56) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL8823894 0.84 CTSK (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7312633 0.84 CAPN1 (0.52) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL7315481 0.83 CAPN1 (0.70) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7315453 0.83 CAPN1 (0.70) CAPN1CTSKCTSLHTRA1CTSS

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