SCHEMBL7312774

SCHEMBL7312774

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

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.69
CTSK P43235 8/20 0.66
CTSL P07711 7/20 0.65
CTSB P07858 4/20 0.65
CTSS P25774 2/20 0.65
HTRA1 Q92743 1/20 0.61

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
SCHEMBL7312791 1.00 CAPN1 (0.69) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7327426 0.89 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL9828791 0.89 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL27809377 0.89 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7315481 0.88 CAPN1 (0.70) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7315453 0.88 CAPN1 (0.70) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7326037 0.87 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL10975356 0.87 CAPN1 (0.73) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL20825246 0.87 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7432894 0.87 CAPN1 (0.67) 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