SCHEMBL7791424

SCHEMBL7791424

CC(CC(C)(C)OOC(=O)C(=O)OCCOc1ccccc1)OC(=O)C(=O)OCCOc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
PPARA Q07869 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
PPARG P37231 2/20 0.36

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
SCHEMBL7783016 0.88 THRB (0.42) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7930924 0.83 THRB (0.47) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7790610 0.80 L3MBTL1 (0.35) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL8330778 0.79 L3MBTL1 (0.37) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL7782925 0.77 ALDH1A1 (0.40) SMN1; SMN2TSHRMEN1KMT2AALDH1A1
SCHEMBL9106209 0.77 THRB (0.43) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL3763325 0.74 THRB (0.65) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7788684 0.74
SCHEMBL7783021 0.73 ALDH1A1 (0.30) TSHRALDH1A1HSD17B10TDP1
SCHEMBL7791435 0.73 ALDH1A1 (0.33) TSHRHPGDALDH1A1

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-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 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
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed