Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL11212401

CC(C)(C)OO.CC(C)(C)OOC(C)(C)c1cccc(C(C)(C)OOC(C)(C)C)c1

nearest known ligand 0.50

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PGK1 P00558 2/20 0.34
PGK2 P07205 2/20 0.34
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.30
ACHE P22303 1/20 0.30

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
Hydrogen Peroxide SCHEMBL20240069 0.92 MAPK1 (0.60) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL44643 0.92 MAPK1 (0.58) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL31578994 0.90 MAPK1 (0.56) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL19327212 0.88 MAPK1 (0.60) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL31013616 0.86 MAPK1 (0.48) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL12537689 0.86 MAPK1 (0.48) MAPK1ALDH1A1ALOX15ESR1ESR2
Tert-Butyl Hydroperoxide SCHEMBL28481774 0.86 MAPK1 (0.71) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL10593256 0.86 MAPK1 (0.71) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL13375622 0.84 MAPK1 (0.50) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL9149548 0.82 MAPK1 (0.48) MAPK1ALDH1A1ALOX15ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079687-A2 Improved linear medium or low-density polyethylene composition Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-05-25 EP disclosed