SCHEMBL8740218

SCHEMBL8740218

CC(C)(C)CC(C)(C)OOC(=O)C=CC(=O)OOC(C)(C)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ATM Q13315 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
SCHEMBL8740216 1.00 HCAR2 (0.33) HCAR2KEAP1NFE2L2ATM
SCHEMBL8740143 0.92 HCAR2 (0.48) HCAR2KEAP1NFE2L2
SCHEMBL3678704 0.77 GAA (0.33)
SCHEMBL11559369 0.77
SCHEMBL2533174 0.77 HCAR2 (0.36) HCAR2KEAP1NFE2L2ATM
SCHEMBL2533170 0.77 HCAR2 (0.36) HCAR2KEAP1NFE2L2ATM
SCHEMBL28621852 0.76 HCAR2 (0.35) HCAR2KEAP1NFE2L2ATM
SCHEMBL28674995 0.76 PRKCA (0.31)
SCHEMBL11516110 0.75
SCHEMBL8740231 0.75 TSHR (0.32) HCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644004-A Multi-component ethylenically unsaturated peroxyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-07-01 US claimed
US-5644004-A Multi-component ethylenically unsaturated peroxyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-07-01 US disclosed
US-5420173-A Curing unsaturated polyesters and peroxyester compositions ARKEMA INC. 1995-05-30 US disclosed