SCHEMBL566323

SCHEMBL566323

O=C(O)CCC1OC(=O)COC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.37
FOLH1 Q04609 1/20 0.33

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
SCHEMBL566225 0.81 APEX1 (0.41) KDM4E
SCHEMBL567024 0.75 ALDH1A1 (0.43)
SCHEMBL21875773 0.73 KDM4E (0.44) KDM4EHTTFOLH1
SCHEMBL9303109 0.73 CYP1A2 (0.39)
SCHEMBL566161 0.71
SCHEMBL5498001 0.71 FAAH (0.32)
SCHEMBL10022885 0.71 CYP1A2 (0.45)
SCHEMBL1425228 0.69 LMNA (0.43) KDM4E
SCHEMBL19984080 0.67 L3MBTL1 (0.39) KDM4EHTT
SCHEMBL20617554 0.67 HTT (0.46) KDM4EHTTFOLH1

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 3 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
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