SCHEMBL5682155

SCHEMBL5682155

CC(C)CC(CCCOS(C)(=O)=O)(CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
LMNA P02545 1/20 0.35
CTSS P25774 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
PSMB5 P28074 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARA Q07869 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL5679922 0.75 MAPT (0.52) SYKLMNACTSSL3MBTL1MAPT
SCHEMBL5681996 0.75 CTSS (0.40) SYKCTSSPOLBGAAL3MBTL1
SCHEMBL25181806 0.71 LMNA (0.52) LMNAL3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL5682158 0.71 PSMB5 (0.40) SYKPOLBGAAPSMB5MAPT
SCHEMBL5677953 0.71 PSMB5 (0.40) SYKPOLBGAAPSMB5MAPT
SCHEMBL10299300 0.70 LMNA (0.51) LMNAL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL13904629 0.70 ALDH1A1 (0.51) SYKPOLBL3MBTL1ALDH1A1MAPK1
SCHEMBL9011863 0.69 CTSS (0.46) SYKCTSSPOLBL3MBTL1ALDH1A1
SCHEMBL9011862 0.69 CTSS (0.46) SYKCTSSPOLBL3MBTL1ALDH1A1
SCHEMBL23303502 0.69 LMNA (0.50) LMNAL3MBTL1ALDH1A1MAPK1TDP1

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