SCHEMBL6662811

SCHEMBL6662811

CC(C)(C)OOC(=O)CC(C(=O)OOC(C)(C)C)C(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
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
SCHEMBL11431845 0.78 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23501792 0.78 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22774942 0.75 MMP1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10434367 0.72 CYP2D6 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11126370 0.69 TSHR (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL210898 0.69 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29572832 0.69 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30876515 0.68 TSHR (0.39) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL21417 0.68 TSHR (0.39) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8529866 0.68 TDP1 (0.39) ALDH1A1TSHRHSD17B10TDP1

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

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