SCHEMBL7305772

SCHEMBL7305772

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc2ccccc2s1)C(=O)CSCc1ccco1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
CTSK P43235 5/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
MMP1 P03956 1/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
GLS O94925 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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 0.86 POLB (0.46) PSMB5CTSKMMP3MMP9MMP1
SCHEMBL7312904 0.86 POLB (0.46) PSMB5CTSKMMP3MMP9MMP1
SCHEMBL7312700 0.85 CASP1 (0.47) PSMB5MMP9ALDH1A1POLBHPGD
SCHEMBL7305782 0.85 MCHR1 (0.41) PSMB5MMP3MMP9MMP1ALDH1A1
SCHEMBL7305792 0.85 MCHR1 (0.41) PSMB5MMP3MMP9MMP1ALDH1A1
SCHEMBL7311282 0.83 ALDH1A1 (0.43) PSMB5MMP3MMP9ALDH1A1USP2
SCHEMBL7311295 0.83 ALDH1A1 (0.43) PSMB5MMP3MMP9ALDH1A1USP2
SCHEMBL7302479 0.83 ALDH1A1 (0.48) PSMB5MMP3MMP9MMP1ALDH1A1
SCHEMBL7302463 0.83 ALDH1A1 (0.48) PSMB5MMP3MMP9MMP1ALDH1A1
SCHEMBL7303752 0.82 HPGD (0.43) PSMB5MMP3MMP9MMP1ALDH1A1

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 3 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-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