SCHEMBL6666057

SCHEMBL6666057

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL22774940 0.86 MMP1 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6660688 0.83 CYP2D6 (0.31) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6662592 0.83 CYP2D6 (0.31) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4455662 0.81 HDAC3 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL740506 0.81 CYP2D6 (0.32) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL36622 0.79 CYP2D6 (0.31) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4640403 0.79 CYP2D6 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL607503 0.79 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260631 0.79 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5468494 0.79 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8

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