SCHEMBL7306974

SCHEMBL7306974

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cccnc1)C(=O)CSCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
LONP1 P36776 1/20 0.39
SCN9A Q15858 1/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
LMNA P02545 1/20 0.37
KISS1R Q969F8 1/20 0.36

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
SCHEMBL7306978 1.00 CTSL (0.45) CTSLCTSBLONP1SCN9APOLB
SCHEMBL7314115 0.91 CTSL (0.41) CTSLCTSBLONP1POLBTDP1
SCHEMBL7314110 0.91 CTSL (0.41) CTSLCTSBLONP1POLBTDP1
SCHEMBL7303804 0.90 POLB (0.48) CTSLCTSBPOLBTDP1CRHBP
SCHEMBL7303780 0.90 POLB (0.48) CTSLCTSBPOLBTDP1CRHBP
SCHEMBL7299101 0.87 ALDH1A1 (0.44) CTSLCTSBPOLBTDP1CRHBP
SCHEMBL7299094 0.87 ALDH1A1 (0.44) CTSLCTSBPOLBTDP1CRHBP
SCHEMBL7301730 0.86 CTSL (0.47) CTSLPOLBTDP1CRHBPCRHR2
SCHEMBL7301740 0.86 CTSL (0.47) CTSLPOLBTDP1CRHBPCRHR2
SCHEMBL7313606 0.86 CTSL (0.44) CTSLCTSBPOLBTDP1CRHBP

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