SCHEMBL7753358

SCHEMBL7753358

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
MMP8 P22894 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7757973 0.88 CYP1A2 (0.31) CYP1A2
SCHEMBL7753354 0.83
SCHEMBL8332333 0.82 MMP8 (0.32) MMP8
SCHEMBL7759371 0.81 CTSK (0.34) POLBGAA
SCHEMBL7757443 0.79
SCHEMBL7788687 0.77 MMP8 (0.34) MMP8
SCHEMBL7755958 0.75
SCHEMBL7756933 0.75 MMP8 (0.37) MGAMGAASIMGAM2MMP8
SCHEMBL7792583 0.73
SCHEMBL7787840 0.72

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