SCHEMBL7311894

SCHEMBL7311894

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
CASP3 P42574 9/20 0.48
CASP8 Q14790 8/20 0.48
CASP1 P29466 5/20 0.48
CASP7 P55210 5/20 0.48

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
SCHEMBL7311888 1.00 CTSD (0.48) CTSDCASP3CASP8CASP1CASP7
SCHEMBL7310887 0.90 CTSL (0.51)
SCHEMBL7310877 0.90 CTSL (0.51)
SCHEMBL7305148 0.90 CTSL (0.47) CASP3CASP8CASP1CASP7
SCHEMBL7305141 0.90 CTSL (0.47) CASP3CASP8CASP1CASP7
SCHEMBL7347081 0.90 TACR1 (0.49) CASP1
SCHEMBL7347088 0.90 TACR1 (0.49) CASP1
SCHEMBL7307053 0.89 CAPN1 (0.57)
SCHEMBL7304428 0.89 CAPN1 (0.57)
SCHEMBL7304416 0.89 CAPN1 (0.57)

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