SCHEMBL7792599

SCHEMBL7792599

CC(C)(C)OOC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
SYK P43405 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL29389485 0.90 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL7921579 0.87 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL10884455 0.87 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL7927532 0.86 ALDH1A1 (0.49) ALDH1A1TDP1TSHRKMT2AMAPK1
SCHEMBL19452722 0.85 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL7921568 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TSHRKMT2AMAPK1
SCHEMBL1680118 0.83 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27144 0.82 ALDH1A1 (0.68) ALDH1A1TDP1TSHRKMT2AMAPK1
SCHEMBL7782933 0.79 ALDH1A1 (0.42) ALDH1A1TDP1TSHRKMT2AMAPK1
SCHEMBL9036258 0.79 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP disclosed
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-5981787-A INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-11-09 US 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
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed