SCHEMBL7792571

SCHEMBL7792571

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=O)OOC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
NAAA Q02083 1/20 0.48
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
HCAR2 Q8TDS4 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 6/20 0.41
DGKA P23743 1/20 0.40
HTR2C P28335 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL9091884 0.90 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL9089379 0.90 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL9091815 0.90 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7928640 0.86 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7933322 0.86 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7933363 0.86 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7603215 0.86 TSHR (0.41) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1068454 0.84 NAAA (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7122437 0.84 NAAA (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL10896710 0.84 NAAA (0.50) TSHRNAAARAD52NPSR1EPHX1

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-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