SCHEMBL7782918

SCHEMBL7782918

CCOC(=O)C(=O)OOC(C)(C)CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL7788687 0.83 MMP8 (0.34) MMP8NPSR1GLO1
SCHEMBL7783000 0.82
SCHEMBL8328054 0.82 TSHR (0.44) NPSR1ALDH1A1TSHRLMNA
SCHEMBL7788689 0.80 MAPK1 (0.30)
SCHEMBL7927628 0.80 ALDH1A1 (0.37) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL7783001 0.79 MMP8 (0.31) MMP8
SCHEMBL4392429 0.78 MAPK1 (0.31)
SCHEMBL7783031 0.77 CYP3A4 (0.47) MMP8ALDH1A1TSHRLMNAHSD17B10
SCHEMBL10717075 0.77 TSHR (0.40) ALDH1A1TSHR
SCHEMBL7757398 0.77 CA1 (0.34) MMP8TSHR

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-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP claimed
US-5981787-A INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-11-09 US claimed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP claimed
EP-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP disclosed
US-5981787-A INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-11-09 US disclosed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed