SCHEMBL7305148

SCHEMBL7305148

CCCCC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)CSCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 1/20 0.47
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
CASP3 P42574 11/20 0.45
CASP8 Q14790 10/20 0.45
CASP1 P29466 7/20 0.45
CASP7 P55210 7/20 0.45
CASP6 P55212 1/20 0.43

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
SCHEMBL7305141 1.00 CTSL (0.47) CTSLCTSSCTSBCTSKMME
SCHEMBL7300828 0.92 CTSL (0.49) CTSLCTSSCTSBCTSKMME
SCHEMBL7300834 0.92 CTSL (0.49) CTSLCTSSCTSBCTSKMME
SCHEMBL7431820 0.91 CTSL (0.55) CTSLCTSSCTSBCTSKMME
SCHEMBL7431812 0.91 CTSL (0.55) CTSLCTSSCTSBCTSKMME
SCHEMBL7444351 0.90 CTSL (0.53) CTSLCTSSCTSBCTSKMME
SCHEMBL7444362 0.90 CTSL (0.53) CTSLCTSSCTSBCTSKMME
SCHEMBL7311894 0.90 CTSD (0.48) CASP3CASP8CASP1CASP7
SCHEMBL7311888 0.90 CTSD (0.48) CASP3CASP8CASP1CASP7
SCHEMBL7303674 0.89 CTSL (0.54) CTSLCTSSCTSBCTSK

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