SCHEMBL6661974

SCHEMBL6661974

CC(C)(OOC(=O)CCCCO)C1CCCC(C(C)(C)OOC(=O)CCCCO)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.33
EPHX2 P34913 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7873508 0.77 NAAA (0.55) NAAAEPHX2
SCHEMBL57356 0.75 NAAA (0.40) NAAAEPHX2
SCHEMBL2777469 0.71 SSTR4 (0.35) NAAAEPHX2
SCHEMBL4608949 0.70 NAAA (0.50) NAAAEPHX2SMN1; SMN2
SCHEMBL10649840 0.69 NAAA (0.45) NAAAEPHX2SMN1; SMN2
SCHEMBL6661924 0.69 CYP4F2 (0.40) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL38657216 0.69 NAAA (0.40) NAAAEPHX2
SCHEMBL94162 0.68 NAAA (0.38) NAAAEPHX2
SCHEMBL22373514 0.68 GNAI3 (0.35) NAAAEPHX2CYP4F2CYP4A11
SCHEMBL22373510 0.68 GNAI3 (0.35) NAAAEPHX2CYP4F2CYP4A11

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-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP disclosed
US-20040049070-A1 Reacting a hydroperoxide or acyl hydroperoxide with a mixed anhydride having a -C(O)-O-C(O)-O- group to form a peracid or diacyl peroxide; OVERKAMP JOHANNES WILLIBRORDUS (NL) 2004-03-11 US disclosed
US-6610880-B1 Reacting with an organohydroperoxide under basic conditions to form peracids, peresters, diacylperoxides or their hydroxy derivatives; low cost; odorless; high yield AKZO NOBEL NV (NL) 2003-08-26 US disclosed