SCHEMBL5689902

SCHEMBL5689902

O=C(CC(O)C(=O)O)OC(=O)CC(O)C(=O)OC(=O)CC(O)C(=O)O.[CaH2].[CaH2].[KH].[KH]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TET2 Q6N021 6/20 0.39
TET3 O43151 2/20 0.39
TET1 Q8NFU7 1/20 0.39
OR51E2 Q9H255 1/20 0.36
KMO O15229 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 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
SCHEMBL2036591 0.96 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL9439416 0.94 SMN1; SMN2 (0.46) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL11219458 0.87 SMN1; SMN2 (0.57) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL11590767 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL6205354 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL2467750 0.82 SMN1; SMN2 (0.43) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL22833469 0.81 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL6753717 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL177315 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL28077561 0.80 GRIK1 (0.41)

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-1654197-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES Degussa AG (DE) 2006-05-10 EP disclosed
WO-2005016823-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES DEGUSSA AG (DE) 2005-02-24 WO disclosed