SCHEMBL7928857

SCHEMBL7928857

CC(C)(CCC(C)(C)OOC(=O)C(=O)Oc1ccccc1)OOC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
ATM Q13315 2/20 0.41
ELANE P08246 5/20 0.38
MAPT P10636 3/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
CYP19A1 P11511 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL9480052 0.85 ALDH1A1 (0.43) TDP1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL7930924 0.80 THRB (0.47) TDP1ALDH1A1HSD17B10TSHRMAPT
SCHEMBL7921579 0.78 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL7790610 0.77 L3MBTL1 (0.35) TDP1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL8330778 0.76 L3MBTL1 (0.37) TDP1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL10338214 0.75 ALOX15 (0.50) TDP1ALDH1A1HSD17B10TSHRMAPT
Diphenyl Ethanedioat SCHEMBL43364 0.75 TDP1 (0.54) TDP1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL43962 0.75 TDP1 (0.72) TDP1ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL7921512 0.74 TSHR (0.35) TDP1ALDH1A1TSHR
SCHEMBL4343163 0.74 ELANE (0.47) TDP1ALDH1A1HSD17B10L3MBTL1ATM

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
EP-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 EP disclosed
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed