SCHEMBL6663112

SCHEMBL6663112

CC(O)CC(C)(C)OOOC(=O)CCCCCCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6660534 1.00 MAPT (0.36) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL6661302 1.00 MAPT (0.36) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL6659093 0.98 MAPT (0.34) MAPTLMNA
SCHEMBL6666357 0.94 MAPT (0.32) MAPT
SCHEMBL8529472 0.91 MAPT (0.38) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL439547 0.87 MAPT (0.36) MAPTLMNA
SCHEMBL6661367 0.83
SCHEMBL6659869 0.81 KDM4E (0.38) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL6662610 0.81 KDM4E (0.38) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27412240 0.81 MAPT (0.45) MAPTLMNAKDM4EDUSP3MEN1

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 7 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 claimed
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 claimed
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
EP-1220837-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES Akzo Nobel N.V. (NL) 2002-07-10 EP disclosed
WO-2001027078-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL N.V. (NL) 2001-04-19 WO disclosed