SCHEMBL7303857

SCHEMBL7303857

CCCCC(NCC(CC(C)C)NC(=O)OCc1ccc(C#N)cc1)C(=O)CSCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.43
CTSB P07858 8/20 0.43
CTSS P25774 8/20 0.41
CTSK P43235 8/20 0.41
PSMB5 P28074 2/20 0.38
PSMB1 P20618 1/20 0.38
PSMB2 P49721 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CAPN1 P07384 1/20 0.35
FASN P49327 1/20 0.34

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
SCHEMBL7302737 0.92 CTSL (0.42) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL7303678 0.92 CTSL (0.49) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL7309495 0.91 CTSL (0.42) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL7303853 0.89 CTSL (0.46) CTSLCTSBCTSSCTSK
SCHEMBL7303866 0.89 CTSL (0.46) CTSLCTSBCTSSCTSK
SCHEMBL7307436 0.88 CTSL (0.40) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL7444358 0.84 CTSL (0.49) CTSLCTSBCTSSCTSKUSP2
SCHEMBL7309644 0.84 CTSL (0.39) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL7310742 0.84 CTSL (0.47) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL7308231 0.84 PSMB1 (0.47) CTSLCTSBCTSSCTSKPSMB5

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