SCHEMBL7309486

SCHEMBL7309486

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(F)cc1)C(=O)CSCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.47
CTSB P07858 4/20 0.47
CTSK P43235 6/20 0.44
CTSS P25774 3/20 0.42
CAPN1 P07384 2/20 0.41
MMP3 P08254 1/20 0.41
CAPN2 P17655 1/20 0.40

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
SCHEMBL7309500 1.00 CTSL (0.47) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7303674 0.93 CTSL (0.54) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7303685 0.93 CTSL (0.54) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7303866 0.90 CTSL (0.46) CTSLCTSBCTSKCTSSMMP3
SCHEMBL7303853 0.90 CTSL (0.46) CTSLCTSBCTSKCTSSMMP3
SCHEMBL7309637 0.88 CTSL (0.47) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7309645 0.88 CTSL (0.47) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7308192 0.88 CAPN1 (0.52) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7308182 0.88 CAPN1 (0.52) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7311282 0.88 ALDH1A1 (0.43) MMP3

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