SCHEMBL7931085

SCHEMBL7931085

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.32
LIPA P38571 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
SCHEMBL8530822 0.81 APOBEC3A (0.43) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL7783030 0.76 CYP19A1 (0.40) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL7791477 0.75 MAPT (0.46) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL7790600 0.74 APOBEC3A (0.40) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL7791480 0.73 MAPT (0.47) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL10886962 0.72 MAPT (0.38) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL35809 0.72 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL22733771 0.72 MAPT (0.53) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL22799034 0.71 MAPT (0.46) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E
SCHEMBL439526 0.71 MAPT (0.46) MAPTAPOBEC3AAPOBEC3GSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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