SCHEMBL5682158

SCHEMBL5682158

CC(C)C[C@H](C(=O)OCc1ccccc1)[C@@H](CCCOS(C)(=O)=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.40
POLB P06746 2/20 0.40
SYK P43405 1/20 0.39
CTSK P43235 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL5677953 1.00 PSMB5 (0.40) PSMB5POLBSYKCTSKMAPT
SCHEMBL6985902 0.94 POLB (0.41) PSMB5POLBSYKCTSKMAPT
SCHEMBL7465906 0.85 POLB (0.44) PSMB5POLBSYKCTSKMAPT
SCHEMBL5682035 0.85 POLB (0.44) PSMB5POLBSYKCTSKMAPT
SCHEMBL7980355 0.84 POLB (0.43) POLBSYKCTSKMAPTGAA
SCHEMBL7980357 0.84 POLB (0.43) POLBSYKCTSKMAPTGAA
SCHEMBL5682124 0.82 POLB (0.45) PSMB5POLBSYKCTSKMAPT
SCHEMBL9327711 0.79 CTSK (0.48) POLBSYKCTSKMAPTGAA
SCHEMBL7043663 0.78 PSMB5 (0.42) PSMB5POLBSYKCTSKMAPT
SCHEMBL7043661 0.78 PSMB5 (0.42) PSMB5POLBSYKCTSKMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934292-B1 METALLOPROTEINASE INHIBITORS VERNALIS OXFORD LTD (GB) 2006-03-15 EP disclosed
EP-1066273-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-10 EP disclosed
US-6022873-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US disclosed
WO-1999048881-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-30 WO disclosed
EP-0934292-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO disclosed