SCHEMBL7344700

SCHEMBL7344700

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.53
CTSL P07711 5/20 0.50
CTSB P07858 1/20 0.50
HTRA1 Q92743 1/20 0.50
CTSK P43235 6/20 0.49
CTSS P25774 2/20 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
SCHEMBL7344709 0.87 PSMB1 (0.45) CTSLCTSKCTSS
SCHEMBL7309282 0.85 CAPN1 (0.64) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7309271 0.85 CAPN1 (0.64) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7309264 0.81 CAPN1 (0.57) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7309251 0.81 CAPN1 (0.57) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL8823874 0.81 CTSK (0.65) CAPN1CTSLCTSBCTSKCTSS
SCHEMBL7303930 0.80 CAPN1 (0.54) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7303921 0.80 CAPN1 (0.54) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7306872 0.80 CAPN1 (0.67) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7306858 0.80 CAPN1 (0.67) CAPN1CTSLCTSBHTRA1CTSK

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