SCHEMBL7303804

SCHEMBL7303804

CCCCC(NC(=O)C(CC(C)C)NC(=O)c1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 6/20 0.44
CTSB P07858 4/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PSMB5 P28074 2/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 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
SCHEMBL7303780 1.00 POLB (0.48) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7299094 0.93 ALDH1A1 (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7299101 0.93 ALDH1A1 (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7314115 0.92 CTSL (0.41) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7314110 0.92 CTSL (0.41) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7313606 0.92 CTSL (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7313599 0.92 CTSL (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7305629 0.91 MAPT (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7442938 0.91 MAPT (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7301730 0.91 CTSL (0.47) POLBCRHBPCRHR2TDP1L3MBTL1

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