SCHEMBL5681996

SCHEMBL5681996

CC(C)C[C@@](CCO)(CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
SYK P43405 1/20 0.39
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARA Q07869 1/20 0.37
POLB P06746 2/20 0.37
CTSK P43235 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC15A1 P46059 1/20 0.37
GAA P10253 1/20 0.36
AAK1 Q2M2I8 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
SCHEMBL19690700 0.78 ALDH1A1 (0.47) CTSSMAPTTDP1ALDH1A1CTSK
SCHEMBL6447831 0.77 PPARA (0.39) CTSSALDH1A1PPARACTSK
SCHEMBL284108 0.76 ALDH1A1 (0.46) SYKTDP1ALDH1A1PPARAMAPK1
SCHEMBL9011863 0.75 CTSS (0.46) CTSSSYKTDP1ALDH1A1PPARA
SCHEMBL9011862 0.75 CTSS (0.46) CTSSSYKTDP1ALDH1A1PPARA
SCHEMBL5682155 0.75 SYK (0.37) CTSSSYKMAPTXBP1NPSR1
SCHEMBL418231 0.74 ALDH1A1 (0.46) SYKTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL18482535 0.74 CTSS (0.47) CTSSSYKMAPTPPARAPOLB
SCHEMBL18970224 0.73 ALDH1A1 (0.49) CTSSSYKTDP1ALDH1A1CTSK
SCHEMBL9326555 0.73 CTSS (0.44) CTSSSYKMAPTXBP1NPSR1

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-0934292-B1 METALLOPROTEINASE INHIBITORS VERNALIS OXFORD LTD (GB) 2006-03-15 EP disclosed
US-6022873-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US 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