SCHEMBL7302944

SCHEMBL7302944

CC(C)C[C@H](NC(=O)OCC1CC=CCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.43
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
CTSK P43235 1/20 0.39

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
SCHEMBL7302936 1.00 CAPN1 (0.43) CAPN1CTSLCTSBPSMB1PSMB5
SCHEMBL7302919 1.00 CAPN1 (0.43) CAPN1CTSLCTSBPSMB1PSMB5
SCHEMBL7437237 0.90 CAPN1 (0.46) CAPN1CTSK
SCHEMBL7437245 0.90 CAPN1 (0.46) CAPN1CTSK
SCHEMBL7302930 0.89 PSMB1 (0.36) CAPN1CTSLPSMB1PSMB5PSMB2
SCHEMBL7438387 0.85 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7438374 0.85 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7438369 0.85 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7438392 0.85 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7303217 0.84 CAPN1 (0.48) CAPN1CTSLCTSBPSMB1PSMB5

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-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