Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL28086285

CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)OO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
DGAT1 O75907 1/20 0.48
ELANE P08246 4/20 0.33
GAA P10253 1/20 0.32
MIF P14174 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
PRKCA P17252 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 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
SCHEMBL307610 0.91 DGAT1 (0.55) ALDH1A1DGAT1ELANESMN1; SMN2PRKCA
Hydrogen Peroxide SCHEMBL25411902 0.88 DGAT1 (0.52) ALDH1A1DGAT1ELANEGAASMN1; SMN2
Water SCHEMBL27843038 0.88 DGAT1 (0.52) ALDH1A1DGAT1ELANESMN1; SMN2PRKCA
SCHEMBL8820077 0.80 DGAT1 (0.50) ALDH1A1DGAT1ELANEGAASMN1; SMN2
SCHEMBL28516224 0.79 DGAT1 (0.44) DGAT1ELANE
Deanol SCHEMBL28061918 0.75 DGAT1 (0.41) DGAT1ELANEPRKCA
SCHEMBL5179932 0.73 ELANE (0.37) ALDH1A1DGAT1ELANEGAAPRKCA
SCHEMBL3141601 0.73 DGAT1 (0.79) ALDH1A1DGAT1ELANEGAASMN1; SMN2
Pivalate SCHEMBL27462861 0.73 ALDH1A1 (0.60) ALDH1A1DGAT1GAA
Tert-Butyl Hydroperoxide SCHEMBL538709 0.72 ALDH1A1 (0.69) ALDH1A1DGAT1GAA

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
CN-103906773-B Polymerization or the method for combined polymerization ethylenically unsaturated monomer in the presence of radical polymerization initiator 巴塞尔聚烯烃股份有限公司 2016-09-07 CN disclosed