SCHEMBL7790600

SCHEMBL7790600

CC(CC(C)(C)OOC(=O)C(=O)OC1CCC(C(C)(C)C)CC1)OC(=O)C(=O)OC1CCC(C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8331492 0.87 EPHX1 (0.35) SMN1; SMN2HTTKDM4ECYP19A1NPC1
SCHEMBL7783030 0.87 CYP19A1 (0.40) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL7792497 0.83 EPHX1 (0.33) SMN1; SMN2HTTKDM4ECYP19A1
SCHEMBL8530822 0.82 APOBEC3A (0.43) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL7782923 0.79 EPHX1 (0.35) SMN1; SMN2HTTCYP19A1NPC1RAB9A
SCHEMBL7783021 0.76 ALDH1A1 (0.30)
SCHEMBL7788687 0.75 MMP8 (0.34)
SCHEMBL7757438 0.75 CYP19A1 (0.41) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL7783008 0.74
SCHEMBL7791427 0.74

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