SCHEMBL6662441

SCHEMBL6662441

CCC(C)OC(=O)OC(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL92240 0.86 L3MBTL1 (0.55) TDP1MAPTNPSR1L3MBTL1ADRB2
SCHEMBL1965809 0.79 CA12 (0.53) MAPTNPSR1L3MBTL1ALDH1A1CA12
SCHEMBL7210669 0.78 TDP1 (0.64) TDP1MAPTNPSR1KMT2AMEN1
SCHEMBL11416304 0.78 TDP1 (0.53) TDP1MAPTADRB2ADRB1ADRB3
SCHEMBL15234122 0.75 L3MBTL1 (0.48) TDP1MAPTNPSR1L3MBTL1ADRB2
SCHEMBL6663428 0.75 SMN1; SMN2 (0.47) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL6659582 0.75 HPGD (0.45) NPSR1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL15234128 0.74 TDP1 (0.55) TDP1MAPTNPSR1L3MBTL1ADRB2
SCHEMBL6654554 0.74 TDP1 (0.70) TDP1MAPTNPSR1KMT2AMEN1
SCHEMBL248492 0.74 TDP1 (0.70) TDP1MAPTNPSR1KMT2AMEN1

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 5 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
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