SCHEMBL566225

SCHEMBL566225

O=C(O)CC1OC(=O)COC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10022876 0.83 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL566323 0.81 KDM4E (0.40) KDM4E
SCHEMBL568005 0.78 PTPN1 (0.34)
SCHEMBL18769698 0.74 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL949152 0.74 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL568015 0.74
SCHEMBL2048972 0.73 NPSR1 (0.34) KDM4EHPGDSMN1; SMN2
SCHEMBL10022887 0.73 PTPN1 (0.34)
SCHEMBL5501059 0.69 CTRB1 (0.42)
SCHEMBL9303109 0.68 CYP1A2 (0.39) SMN1; 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
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