Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL2881545

CC(C)(C)OO.CC(C)(C)c1ccccc1OO

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.40
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL309339 0.94 ALDH1A1 (0.50) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL11781961 0.80 ALDH1A1 (0.39) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL6933536 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL9223471 0.76 TDP1 (0.42) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL127278 0.75 ALDH1A1 (0.48) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL30500977 0.75 ALDH1A1 (0.48) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL10541515 0.73 ALDH1A1 (0.47) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL142899 0.73 CA2 (0.57) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL29771456 0.73 CA2 (0.57) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL10584699 0.72 TDP1 (0.54) ALDH1A1TDP1TSHRATMKDM4E

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
US-7781537-B2 Functionalized poly(arylene ether) composition and method SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-08-24 US claimed