SCHEMBL7303761

SCHEMBL7303761

CCCCC(NC(=O)C(CC(C)C)NC(=S)Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.43
MMP9 P14780 2/20 0.43
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MMP1 P03956 1/20 0.40
PSMB5 P28074 3/20 0.39
PSMB1 P20618 1/20 0.39
PSMB2 P49721 1/20 0.39
REN P00797 1/20 0.37
CASP3 P42574 3/20 0.36
CASP8 Q14790 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CNR2 P34972 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL7312916 0.92 POLB (0.46) MMP3MMP9CTSLCTSBALDH1A1
SCHEMBL7312904 0.92 POLB (0.46) MMP3MMP9CTSLCTSBALDH1A1
SCHEMBL7303780 0.87 POLB (0.48) MMP3MMP9CTSLCTSBALDH1A1
SCHEMBL7303804 0.87 POLB (0.48) MMP3MMP9CTSLCTSBALDH1A1
SCHEMBL7303685 0.87 CTSL (0.54) MMP3CTSLCTSB
SCHEMBL7303674 0.87 CTSL (0.54) MMP3CTSLCTSB
SCHEMBL7311282 0.85 ALDH1A1 (0.43) MMP3MMP9ALDH1A1POLBPSMB5
SCHEMBL7311295 0.85 ALDH1A1 (0.43) MMP3MMP9ALDH1A1POLBPSMB5
SCHEMBL7303752 0.85 HPGD (0.43) MMP3MMP9CTSLCTSBALDH1A1
SCHEMBL7431395 0.85 MMP3 (0.40) MMP3MMP9CTSLCTSBALDH1A1

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