SCHEMBL7308222

SCHEMBL7308222

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 6/20 0.52
CTSS P25774 2/20 0.49
CAPN1 P07384 2/20 0.49
APC P25054 1/20 0.48
MMP3 P08254 1/20 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
SCHEMBL7308237 1.00 CTSL (0.54) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7301709 0.94 CTSL (0.53) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7301699 0.94 CTSL (0.53) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7300643 0.94 CTSK (0.56) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7300633 0.94 CTSK (0.56) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7304542 0.93 CTSL (0.62) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7304532 0.93 CTSL (0.62) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7310731 0.93 CTSL (0.62) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7303674 0.92 CTSL (0.54) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7303685 0.92 CTSL (0.54) CTSLCTSBCTSKCTSSCAPN1

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