SCHEMBL7312840

SCHEMBL7312840

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)CSCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.51
CTSS P25774 5/20 0.51
CTSB P07858 3/20 0.51
CAPN1 P07384 2/20 0.49
CTSK P43235 7/20 0.47
F2 P00734 1/20 0.47
CASP1 P29466 1/20 0.45

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
SCHEMBL7304416 0.92 CAPN1 (0.57) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7307053 0.92 CAPN1 (0.57) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7304428 0.92 CAPN1 (0.57) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7300643 0.90 CTSK (0.56) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7300633 0.90 CTSK (0.56) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7300494 0.89 CAPN1 (0.52) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7308182 0.89 CAPN1 (0.52) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7433240 0.89 CAPN1 (0.52) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7308192 0.89 CAPN1 (0.52) CTSLCTSSCTSBCAPN1CTSK
SCHEMBL7312633 0.89 CAPN1 (0.52) CTSLCTSBCAPN1CTSK

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