SCHEMBL567608

SCHEMBL567608

O=C1COC(=O)C(CCCCNC(=O)OCc2ccccc2)O1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
TGM2 P21980 1/20 0.49
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
GAA P10253 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
FOLH1 Q04609 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL567366 1.00 HTT (0.51) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL12537093 0.84 HTT (0.55) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3976930 0.82 EPHX2 (0.43) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13843599 0.82 TGM2 (0.54) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3978073 0.82 ALDH1A1 (0.41) LMNA
SCHEMBL567024 0.79 ALDH1A1 (0.43) LMNAKMT2A
SCHEMBL22525114 0.79 IDO1 (0.62) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL18254066 0.77 HTT (0.81) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL536617 0.77 GLA (0.47) MEN1KMT2A
SCHEMBL567327 0.77 GLA (0.47) MEN1KMT2A

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-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
WO-2010100390-A1 CATALYTIC POLYMERIZATION METHOD FOR 1,4-DIOXANE-2,5-DIONES, AND CORRESPONDING POLYMERS MINASOLVE (FR) 2010-09-10 WO disclosed