SCHEMBL6661362

SCHEMBL6661362

O=C(OO)c1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.63
SLC2A1 P11166 1/20 0.60
SLC2A4 P14672 1/20 0.60
CA12 O43570 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
CA1 P00915 1/20 0.59
CA6 P23280 1/20 0.59
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
KDM4E B2RXH2 2/20 0.53
EGLN2 Q96KS0 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
FASN P49327 1/20 0.50
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
P4HB P07237 1/20 0.47

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
SCHEMBL38746 0.86 ATM (0.48) PARP1SLC2A1SLC2A4ESR1ESR2
SCHEMBL28440522 0.84 CA12 (0.61) PARP1SLC2A1SLC2A4CA12CA2
SCHEMBL29905085 0.82 SLC2A1 (0.69) PARP1SLC2A1SLC2A4CA12CA2
SCHEMBL23375527 0.81 CA12 (0.57) PARP1SLC2A1SLC2A4CA12CA2
Methyl 3-Hydroxybenzoate SCHEMBL29410714 0.81 P4HB (0.67) PARP1CA12CA2CA9CA1
SCHEMBL27535660 0.81 PARP1 (0.61) PARP1SLC2A1SLC2A4CA12CA2
SCHEMBL16428931 0.81 CA12 (0.57) PARP1SLC2A1SLC2A4CA12CA2
Methyl 3-Hydroxybenzoate SCHEMBL67203 0.81 P4HB (0.67) PARP1CA12CA2CA9CA1
SCHEMBL28010305 0.81 CA12 (0.57) PARP1SLC2A1SLC2A4CA12CA2
SCHEMBL21681878 0.79 ESR1 (0.65) PARP1SLC2A1SLC2A4CA12CA2

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 8 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
WO-2020209241-A1 CURABLE COMPOSITION AND CURED PRODUCT OF SAME JXTGエネルギー株式会社 2020-10-15 WO disclosed
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
CN-1378530-A Process for preparing peroxides using mixed anhydrides AKZO NOBEL NV (NL) 2002-11-06 CN 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