SCHEMBL82694

SCHEMBL82694

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LIPA P38571 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 0.86 APOBEC3A (0.43) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL35809 0.84 MAPT (0.50) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7757438 0.84 CYP19A1 (0.41) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL83162 0.83 EPHX1 (0.42) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL1820747 0.81 MAPT (0.47) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL22733771 0.80 MAPT (0.53) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL2299719 0.80 MAPT (0.46) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL11514776 0.79 NAAA (0.41) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL11473642 0.79 MAPT (0.43) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL5759240 0.78 MAPT (0.45) APOBEC3AAPOBEC3GHTTSMN1; 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
US-8128886-B2 Reactor for preparing organic peroxides via the intermediate of a solid hydroperoxide UNITED INITIATORS GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090187048-A1 Reactor for Preparing Organic Peroxides Via the Intermediate of a Solid Hydroperoxide UNITED INITIATORS GMBH (DE) 2009-07-23 US disclosed