SCHEMBL7757438

SCHEMBL7757438

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LIPA P38571 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7783030 0.88 CYP19A1 (0.40) CYP19A1APOBEC3AAPOBEC3GSMN1; SMN2HTT
SCHEMBL9101612 0.86 EPHX1 (0.37) CYP19A1SMN1; SMN2HTTKDM4ENPC1
SCHEMBL7753339 0.86 EPHX1 (0.37) CYP19A1SMN1; SMN2HTTKDM4ENPC1
SCHEMBL82694 0.84 APOBEC3A (0.44) CYP19A1APOBEC3AAPOBEC3GSMN1; SMN2HTT
SCHEMBL35809 0.78 MAPT (0.50) CYP19A1APOBEC3AAPOBEC3GSMN1; SMN2HTT
SCHEMBL9103308 0.78
SCHEMBL7757439 0.76 GAA (0.38) GAA
SCHEMBL9103023 0.76
SCHEMBL1820747 0.75 MAPT (0.47) CYP19A1APOBEC3AAPOBEC3GSMN1; SMN2HTT
SCHEMBL7758013 0.75 CYP2D6 (0.31) CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed