SCHEMBL4881028

SCHEMBL4881028

CC(C)(C)c1cc(SSSSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.65
MAPT P10636 2/20 0.65
HPN P05981 1/20 0.65
SIRT5 Q9NXA8 1/20 0.65
CA2 P00918 4/20 0.56
CA1 P00915 2/20 0.56
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GALR3 O60755 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 3/20 0.43

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
SCHEMBL6942721 0.98 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL1116372 0.95 ALOX15 (0.65) ALOX15MAPTHPNSIRT5CA2
SCHEMBL1116345 0.91 ALOX15 (0.71) ALOX15MAPTHPNSIRT5CA2
SCHEMBL3177529 0.81 ALOX15 (0.71) ALOX15MAPTHPNSIRT5CA2
SCHEMBL11798530 0.79 CA2 (0.47) ALOX15MAPTHPNSIRT5CA2
Probucol SCHEMBL5143451 0.79 HPN (1.00) ALOX15MAPTHPNSIRT5CA2
SCHEMBL8311264 0.79 MAPT (0.68) ALOX15MAPTHPNSIRT5CA2
Probucol SCHEMBL4150 0.79 HPN (1.00) ALOX15MAPTHPNSIRT5CA2
SCHEMBL4595518 0.78 CYP2C9 (0.61) ALOX15MAPTHPNSIRT5CA2
SCHEMBL6520594 0.78 ALOX15 (0.55) ALOX15MAPTHPNSIRT5CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119672-A1 Method for Producing 2,6-Di-Tert-Butyl-4-Mercaptophenol and 4,4'-Isopropylidenedithiobis [2,6-Di-Tert-Butylphenol] SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-22 US disclosed
EP-1849768-A1 METHODS FOR PRODUCING 2,6-DI-TERT-BUTYL-4-MERCAPTOPHENOL AND 4,4'-ISOPROPYLIDENEDITHIOBIS[2,6-DI-TERT-BUTYLPHENOL] Sumitomo Chemical Company, Limited (JP) 2007-10-31 EP disclosed