SCHEMBL7302542

SCHEMBL7302542

CCCC[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 5/20 0.46
CTSK P43235 4/20 0.46
SIRT2 Q8IXJ6 6/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
SIRT1 Q96EB6 5/20 0.41
SIRT3 Q9NTG7 2/20 0.41

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
SCHEMBL7302549 1.00 CTSL (0.48) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7431812 0.93 CTSL (0.55) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7431820 0.93 CTSL (0.55) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7305108 0.91 CTSL (0.52) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7305115 0.91 CTSL (0.52) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7444351 0.91 CTSL (0.53) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7444362 0.91 CTSL (0.53) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL7307660 0.91 SIRT2 (0.48) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL7307666 0.91 SIRT2 (0.48) CTSLCTSSCTSKSIRT2SIRT1
SCHEMBL7311527 0.90 CTSL (0.47) CTSLCTSSCTSBCTSKSIRT2

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