SCHEMBL7756873

SCHEMBL7756873

CCCCC(CC)C(=O)OOOC(C)(C)CC(C)OC(=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA1 P00915 4/20 0.42
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7759343 0.89 CA2 (0.41) CA2CA1MAPK1GAAXBP1
SCHEMBL601442 0.82 CA2 (0.49) CA2CA1MAPK1GAAXBP1
SCHEMBL7788680 0.81 CA2 (0.43) CA2CA1MAPK1GAAXBP1
SCHEMBL9015721 0.81 CA2 (0.39) CA2CA1MAPK1GAAXBP1
SCHEMBL8619651 0.81 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL7921624 0.81 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL7788678 0.81 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL24902 0.79 CA2 (0.54) CA2CA1MAPK1GAAXBP1
SCHEMBL8614728 0.79 CA2 (0.45) CA2CA1MAPK1GAAXBP1
SCHEMBL9015784 0.78 CA2 (0.36) CA2CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed