SCHEMBL7783016

SCHEMBL7783016

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
PPARA Q07869 1/20 0.39
PPARG P37231 2/20 0.38

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
SCHEMBL9106209 0.89 THRB (0.43) THRBLMNARAB9ANPC1SMN1; SMN2
SCHEMBL7791424 0.88 THRB (0.40) THRBLMNARAB9ANPC1SMN1; SMN2
SCHEMBL7930924 0.85 THRB (0.47) THRBLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3763325 0.76 THRB (0.65) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11714153 0.75 THRB (0.56) THRBLMNARAB9ANPC1SMN1; SMN2
SCHEMBL7759369 0.73 TSHR (0.60) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL11717653 0.72 THRB (0.53) THRBLMNARAB9ANPC1SMN1; SMN2
SCHEMBL8328054 0.72 TSHR (0.44) LMNATSHRALDH1A1MAPT
SCHEMBL10714324 0.72 MAPT (0.44) LMNASMN1; SMN2TSHRHPGDMEN1
SCHEMBL9180568 0.70 THRB (0.57) THRBLMNARAB9ANPC1SMN1; SMN2

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