SCHEMBL7305782

SCHEMBL7305782

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cc1csc2ccccc12)C(=O)CSCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
MMP9 P14780 4/20 0.39
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
GZMB P10144 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
MMP3 P08254 2/20 0.34
MMP1 P03956 1/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7305792 1.00 MCHR1 (0.41) MCHR1MMP9MMP2MMP8TP53
SCHEMBL7434092 0.89 PSMB1 (0.43) MCHR1MMP9MMP2MMP8TP53
SCHEMBL7313911 0.89 PSMB1 (0.43) MCHR1MMP9MMP2MMP8TP53
SCHEMBL7305787 0.88 MCHR1 (0.37) MCHR1MMP9MMP2MMP8TP53
SCHEMBL7312700 0.87 CASP1 (0.47) MCHR1MMP9MMP2MMP8CASP1
SCHEMBL7312916 0.85 POLB (0.46) MMP9CASP1CASP3MMP3MMP1
SCHEMBL7312904 0.85 POLB (0.46) MMP9CASP1CASP3MMP3MMP1
SCHEMBL7305772 0.85 PSMB5 (0.37) MMP9SMN1; SMN2MMP3MMP1ALDH1A1
SCHEMBL7302479 0.81 ALDH1A1 (0.48) MMP9CASP1CASP3CASP7MMP3
SCHEMBL7311282 0.81 ALDH1A1 (0.43) MMP9SMN1; SMN2CASP1CASP3MMP3

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