SCHEMBL374684

SCHEMBL374684

CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.50
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31
ESRRG P62508 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL75713 0.88 MAPK1 (0.62) ALDH1A1ALOX15MAPK1TSHRTDP1
SCHEMBL5943678 0.85 ALDH1A1 (0.75) ALDH1A1ALOX15MAPK1TSHRTDP1
Cumene Hydroperoxide SCHEMBL28105735 0.84 ALDH1A1 (0.83) ALDH1A1ALOX15MAPK1TSHRTDP1
Tert-Butyl Hydroperoxide SCHEMBL28481774 0.83 MAPK1 (0.71) ALDH1A1ALOX15MAPK1TSHRTDP1
SCHEMBL20455552 0.82 MAPK1 (0.50) ALDH1A1ALOX15MAPK1TSHRTDP1
SCHEMBL5390743 0.82 MAPK1 (0.50) ALDH1A1ALOX15MAPK1TSHRTDP1
Cumene Hydroperoxide SCHEMBL27711546 0.82 ALDH1A1 (0.86) ALDH1A1ALOX15MAPK1TSHRTDP1
SCHEMBL21986124 0.79 MAPK1 (0.52) ALDH1A1ALOX15MAPK1TSHRTDP1
SCHEMBL14380150 0.79 MAPK1 (0.52) ALDH1A1ALOX15MAPK1TSHRTDP1
SCHEMBL11811353 0.78 ALDH1A1 (0.65) ALDH1A1ALOX15MAPK1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639021-B2 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS AKZO NOBEL CHEMICALS INT BV (NL) 2019-07-10 EP claimed
EP-1639021-B1 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS AKZO NOBEL NV (NL) 2012-01-25 EP claimed
US-7759438-B2 Polymerization process for preparing (co)polymers AKZO NOBEL N.V. (NL) 2010-07-20 US claimed
US-20060142513-A1 Polymerization process for preparing (co)polymers AKZO NOBEL N.V. (NL) 2006-06-29 US claimed
EP-1639021-A1 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS Akzo Nobel N.V. (NL) 2006-03-29 EP claimed
WO-2005075419-A1 METHOD FOR PREPARING ORGANIC PEROXIDES ON SITE AKZO NOBEL N.V. (NL) 2005-08-18 WO claimed
WO-2005000916-A1 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS AKZO NOBEL N.V. (NL) 2005-01-06 WO claimed
EP-1639021-B2 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS AKZO NOBEL CHEMICALS INT BV (NL) 2019-07-10 EP disclosed
EP-1639021-B1 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS AKZO NOBEL NV (NL) 2012-01-25 EP disclosed
US-7759438-B2 Polymerization process for preparing (co)polymers AKZO NOBEL N.V. (NL) 2010-07-20 US disclosed
US-20060142513-A1 Polymerization process for preparing (co)polymers AKZO NOBEL N.V. (NL) 2006-06-29 US disclosed
EP-1639021-A1 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS Akzo Nobel N.V. (NL) 2006-03-29 EP disclosed
WO-2005075419-A1 METHOD FOR PREPARING ORGANIC PEROXIDES ON SITE AKZO NOBEL N.V. (NL) 2005-08-18 WO disclosed
WO-2005000916-A1 POLYMERIZATION PROCESS FOR PREPARING (CO)POLYMERS AKZO NOBEL N.V. (NL) 2005-01-06 WO disclosed