SCHEMBL7312904

SCHEMBL7312904

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 2/20 0.43
MMP3 P08254 4/20 0.43
MMP9 P14780 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
CTSL P07711 2/20 0.42
PSMB5 P28074 4/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MMP1 P03956 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB2 P49721 1/20 0.40
CASP1 P29466 1/20 0.40

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 1.00 POLB (0.46) POLBALDH1A1CNR2MMP3MMP9
SCHEMBL7311295 0.93 ALDH1A1 (0.43) POLBALDH1A1MMP3MMP9PSEN1
SCHEMBL7311282 0.93 ALDH1A1 (0.43) POLBALDH1A1MMP3MMP9PSEN1
SCHEMBL7303761 0.92 MMP3 (0.43) POLBALDH1A1CNR2MMP3MMP9
SCHEMBL7302463 0.89 ALDH1A1 (0.48) POLBALDH1A1MMP3MMP9CTSL
SCHEMBL7302479 0.89 ALDH1A1 (0.48) POLBALDH1A1MMP3MMP9CTSL
SCHEMBL7303752 0.89 HPGD (0.43) POLBALDH1A1MMP3MMP9CTSL
SCHEMBL7303804 0.88 POLB (0.48) POLBALDH1A1MMP3MMP9CTSL
SCHEMBL7303780 0.88 POLB (0.48) POLBALDH1A1MMP3MMP9CTSL
SCHEMBL7306220 0.88 CASP3 (0.47) POLBALDH1A1MMP3MMP9CTSL

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