SCHEMBL7307436

SCHEMBL7307436

CCCCC(NCC(CC(C)C)NC(=O)OCc1ccccc1C#N)C(=O)CSCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.40
CTSB P07858 8/20 0.40
CTSS P25774 7/20 0.38
CTSK P43235 7/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
CAPN1 P07384 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7309644 0.90 CTSL (0.39) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7307431 0.89 CTSL (0.45) CTSLCTSBCTSSCTSK
SCHEMBL7307443 0.89 CTSL (0.45) CTSLCTSBCTSSCTSK
SCHEMBL7303678 0.88 CTSL (0.49) CTSLCTSBCTSSCTSKPSMB1
SCHEMBL7303857 0.88 CTSL (0.43) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7302737 0.86 CTSL (0.42) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7310196 0.85 CTSL (0.40) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7309495 0.84 CTSL (0.42) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7433847 0.83 ALDH1A1 (0.39) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7301797 0.82 CTSK (0.42) CTSLCTSBCTSSCTSKALDH1A1

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