SCHEMBL7303752

SCHEMBL7303752

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CSc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP3 P08254 4/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
PSMB5 P28074 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37

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 0.89 POLB (0.46) ALDH1A1POLBMMP3MMP9MMP1
SCHEMBL7312904 0.89 POLB (0.46) ALDH1A1POLBMMP3MMP9MMP1
SCHEMBL7303780 0.87 POLB (0.48) ALDH1A1POLBMMP3MMP9MMP1
SCHEMBL7303804 0.87 POLB (0.48) ALDH1A1POLBMMP3MMP9MMP1
SCHEMBL7302463 0.87 ALDH1A1 (0.48) HPGDALDH1A1POLBMMP3MMP9
SCHEMBL7302479 0.87 ALDH1A1 (0.48) HPGDALDH1A1POLBMMP3MMP9
SCHEMBL7306220 0.85 CASP3 (0.47) HPGDALDH1A1POLBKMT2AMMP3
SCHEMBL7306233 0.85 CASP3 (0.47) HPGDALDH1A1POLBKMT2AMMP3
SCHEMBL7431395 0.85 MMP3 (0.40) HPGDALDH1A1POLBMMP3MMP9
SCHEMBL7303761 0.85 MMP3 (0.43) ALDH1A1POLBMMP3MMP9MMP1

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