SCHEMBL7790728

SCHEMBL7790728

CC(C)(C)COC(=O)C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2230548 0.84 CYP2C19 (0.39) CYP2C19KMT2ALMNAHSD17B10
SCHEMBL13348015 0.83
SCHEMBL13894525 0.83
SCHEMBL14890613 0.81 HTT (0.32)
SCHEMBL11593719 0.79 SERPINE1 (0.32) LMNAHSD17B10
SCHEMBL184188 0.79
SCHEMBL7790725 0.78 CYP2C19 (0.32) CYP2C19KMT2A
SCHEMBL7699054 0.77 CYP2C19 (0.35) CYP2C19KMT2ALMNAHSD17B10
SCHEMBL2230550 0.77 CYP2C19 (0.35) CYP2C19KMT2ALMNAHSD17B10
SCHEMBL8252306 0.77 CHRM2 (0.33)

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 7 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-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP 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
US-4113880-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1978-09-12 US disclosed