SCHEMBL5953831

SCHEMBL5953831

O=C(O)CCC(=O)OCC(=O)O.[Zn]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.54
LMNA P02545 5/20 0.47
EGLN1 Q9GZT9 4/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
KDM6B O15054 2/20 0.44
KDM5C P41229 2/20 0.44
PHF8 Q9UPP1 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.38
CTH P32929 1/20 0.38
CBS P35520 1/20 0.38
THPO P40225 1/20 0.38
SLC15A2 Q16348 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
OR51E2 Q9H255 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL530330 0.97 PAM (0.56) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL1690888 0.95 PAM (0.54) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL10353138 0.95 PAM (0.54) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL11405302 0.95 PAM (0.54) PAMLMNAEGLN1ALKBH5SUCNR1
Ammonia Solution, Strong SCHEMBL11544660 0.95 PAM (0.54) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL11388232 0.95 PAM (0.54) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL11743459 0.92 PAM (0.52) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL11742614 0.92 PAM (0.52) PAMLMNAEGLN1ALKBH5SUCNR1
Water SCHEMBL11548941 0.92 PAM (0.52) PAMLMNAEGLN1ALKBH5SUCNR1
SCHEMBL94604 0.92 PAM (0.60) PAMLMNAEGLN1ALKBH5SUCNR1

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-20060182693-A1 Chewing gum possessing tooth cleaning effect and a teeth cleaning method GUMLINK A/S (DK) 2006-08-17 US disclosed
CN-1037148-C Stable oral zinc compound JOHNSON & JOHNSON CONSUMER (US) 1998-01-28 CN disclosed
CN-1053183-A The chemical compound of the zinc of stable oral JOHNSON & JOHNSON CONSUMER (US) 1991-07-24 CN disclosed