SCHEMBL7311641

SCHEMBL7311641

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(F)cc1F)C(=O)CSCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.43
CTSL P07711 3/20 0.39
CTSB P07858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
USP2 O75604 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL7311652 1.00 PSMB5 (0.43) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL7308895 0.94 PSMB5 (0.43) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL8888482 0.94 PSMB5 (0.43) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL7311337 0.91 POLB (0.41) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL7311345 0.91 POLB (0.41) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL7431357 0.91 NPC1 (0.38) PSMB5CTSLALDH1A1HPGDUSP2
SCHEMBL7311497 0.91 NPC1 (0.38) PSMB5CTSLALDH1A1HPGDUSP2
SCHEMBL7311324 0.90 ALDH1A1 (0.36) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL7311308 0.90 ALDH1A1 (0.36) PSMB5CTSLCTSBALDH1A1HPGD
SCHEMBL7306122 0.89 ALDH1A1 (0.35) PSMB5CTSLCTSBALDH1A1HPGD

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