SCHEMBL7310877

SCHEMBL7310877

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.51
TACR1 P25103 2/20 0.51
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL7310887 1.00 CTSL (0.51) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7347081 0.96 TACR1 (0.49) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7347088 0.96 TACR1 (0.49) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7307053 0.93 CAPN1 (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7304428 0.93 CAPN1 (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7304416 0.93 CAPN1 (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7307504 0.91 CTSL (0.52) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7433553 0.91 CTSL (0.52) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7311894 0.90 CTSD (0.48)
SCHEMBL7311888 0.90 CTSD (0.48)

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