SCHEMBL7311337

SCHEMBL7311337

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1F)C(=O)CSCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
PSMB5 P28074 1/20 0.36
CLPP Q16740 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL7311345 1.00 POLB (0.41) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7312702 0.94 PSMB5 (0.42) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7312714 0.94 PSMB5 (0.42) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7311652 0.91 PSMB5 (0.43) POLBMAPTHPGDMMP3MMP9
SCHEMBL8888482 0.91 PSMB5 (0.43) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7311641 0.91 PSMB5 (0.43) POLBMAPTHPGDMMP3MMP9
SCHEMBL7308895 0.91 PSMB5 (0.43) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7305072 0.91 GAA (0.44) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7306059 0.91 PSMB1 (0.40) POLBMAPTSMN1; SMN2HPGDMMP3
SCHEMBL7305080 0.91 GAA (0.44) POLBMAPTSMN1; SMN2HPGDMMP3

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