SCHEMBL7309645

SCHEMBL7309645

CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1F)C(=O)CSCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.47
CTSB P07858 6/20 0.47
CTSK P43235 6/20 0.40
MMP3 P08254 1/20 0.39
CTSS P25774 3/20 0.38
CAPN1 P07384 1/20 0.38

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
SCHEMBL7309637 1.00 CTSL (0.47) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7303674 0.89 CTSL (0.54) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7303685 0.89 CTSL (0.54) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7307431 0.89 CTSL (0.45) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7307443 0.89 CTSL (0.45) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7309486 0.88 CTSL (0.47) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7309500 0.88 CTSL (0.47) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7309644 0.88 CTSL (0.39) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7310190 0.85 CTSL (0.48) CTSLCTSBCTSKMMP3CTSS
SCHEMBL7310207 0.85 CTSL (0.48) CTSLCTSBCTSKMMP3CTSS

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 3 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-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