SCHEMBL7312640

SCHEMBL7312640

CC(C)CC(CNC(Cc1ccccc1)C(=O)CSCc1ccco1)NC(=O)OCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
PSMB2 P49721 2/20 0.44
CTSL P07711 3/20 0.41
CTSK P43235 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CAPN1 P07384 1/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7307063 0.97 PSMB1 (0.48) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7304423 0.97 PSMB1 (0.48) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7303213 0.93 PSMB1 (0.41) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7308188 0.92 PSMB1 (0.44) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7303779 0.92 PSMB1 (0.44) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7433236 0.92 PSMB1 (0.46) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7300639 0.91 PSMB1 (0.51) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7435127 0.91 PSMB1 (0.40) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7310291 0.91 CTSL (0.51) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7310622 0.91 ALDH1A1 (0.42) PSMB1PSMB5PSMB2CTSLCTSK

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