SCHEMBL7303217

SCHEMBL7303217

CC(C)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.48
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 3/20 0.44
HTRA1 Q92743 1/20 0.44
REN P00797 1/20 0.43

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
SCHEMBL7430388 1.00 CAPN1 (0.48) CAPN1PSMB1PSMB5PSMB2CTSL
SCHEMBL7340910 0.94 PSMB1 (0.42) PSMB1PSMB5PSMB2CTSLCTSB
SCHEMBL7340905 0.94 PSMB1 (0.42) PSMB1PSMB5PSMB2CTSLCTSB
SCHEMBL7304416 0.93 CAPN1 (0.57) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL7312633 0.93 CAPN1 (0.52) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL7304428 0.93 CAPN1 (0.57) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL7307053 0.93 CAPN1 (0.57) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL7310815 0.89 CAPN1 (0.49) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL7303351 0.89 REN (0.57) CTSLCTSBCTSKREN
SCHEMBL7303359 0.89 REN (0.57) CTSLCTSBCTSKREN

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