SCHEMBL4582405

SCHEMBL4582405

CC(C)(C)C1CCC(OC(=O)O[O])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP19A1 P11511 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.41
LIPA P38571 1/20 0.40
EPHX1 P07099 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22733771 0.90 MAPT (0.53) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL2380073 0.86 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL35809 0.86 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL8727040 0.86 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL27529787 0.84 MAPT (0.49) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL4631121 0.84 MAPT (0.49) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
Bicarbonate SCHEMBL28052024 0.82 MAPT (0.47) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL1820747 0.82 MAPT (0.47) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL4629918 0.81 APOBEC3A (0.53) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL2299719 0.81 MAPT (0.46) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2

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-1910283-A1 REACTOR FOR PRODUCING ORGANIC PEROXIDES VIA THE INTERMEDIATE OF A SOLID HYDROPEROXIDE Evonik Degussa GmbH (DE) 2008-04-16 EP disclosed
WO-2007014845-A1 REACTOR FOR PRODUCING ORGANIC PEROXIDES VIA THE INTERMEDIATE OF A SOLID HYDROPEROXIDE EVONIK DEGUSSA GMBH (DE) 2007-02-08 WO disclosed