SCHEMBL7788680

SCHEMBL7788680

CCCCC(CC)C(=O)OOC(C)(C)CC(C)OC(=O)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
CA1 P00915 4/20 0.43
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSK P43235 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
SCHEMBL7759343 0.93 CA2 (0.41) CA2CA1MAPK1GAAXBP1
SCHEMBL8614728 0.90 CA2 (0.45) CA2CA1MAPK1GAAXBP1
SCHEMBL7788678 0.89 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL8619651 0.86 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL7921624 0.86 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL8528835 0.82 CA2 (0.39) CA2CA1MAPK1GAAXBP1
SCHEMBL7756873 0.81 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL9146117 0.81 CA2 (0.46) CA2CA1MAPK1GAAXBP1
SCHEMBL8614721 0.81 TSHR (0.43) CA2CA1MAPK1GAAXBP1
SCHEMBL2049913 0.80 CA2 (0.51) CA2CA1MAPK1GAAXBP1

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 disclosed
EP-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 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
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed