SCHEMBL8740204

SCHEMBL8740204

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.31

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
SCHEMBL28362080 1.00 HCAR2 (0.41) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL8740155 1.00 HCAR2 (0.41) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL8740304 0.91 NFE2L2 (0.59) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL18921582 0.91 TSHR (0.35) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL8740156 0.91 TSHR (0.35) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL16466651 0.91 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL3878187 0.91 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL8740152 0.91 TSHR (0.35) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL65753 0.91 TSHR (0.35) HCAR2KEAP1NFE2L2TSHRTDP1
SCHEMBL11226261 0.91 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRTDP1

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 5 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
US-4219675-A Batch process for manufacturing and purifying liquid organic peroxide by distillation PENNWALT CORPORATION (US) 1980-08-26 US disclosed
US-4075236-A FROM ACID CHLORIDE, A HYDROPEROXIDE AND AN ALKALI METAL HYDROXIDE PENNWALT CORPORATION (US) 1978-02-21 US disclosed