SCHEMBL533274

SCHEMBL533274

O=C(O)C(O)CC(CC(O)C(=O)O)(CC(O)C(=O)O)C(CO)(CO)CO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
TET2 Q6N021 6/20 0.39
TET3 O43151 2/20 0.39
TET1 Q8NFU7 1/20 0.39
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
GPR84 Q9NQS5 3/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
FFAR1 O14842 1/20 0.32
TSHR P16473 2/20 0.30
CYP2C9 P11712 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL537212 0.87 OR51E2 (0.41) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL536378 0.82 OR51E2 (0.41) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL28778996 0.75 OR51E2 (0.48) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL17363654 0.73 RNPEP (0.39) CYP2C9
SCHEMBL31674430 0.73 OR51E2 (0.46) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL23777976 0.72 OR51E2 (0.43) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL536898 0.70 OR51E2 (0.48) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL534490 0.70 OR51E2 (0.42) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL11873875 0.69 OR51E2 (0.46) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL1623537 0.69 OR51E2 (0.46) OR51E2SMN1; SMN2TET2TET3TET1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP claimed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO claimed
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed
EP-2480192-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
EP-2480193-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
WO-2011036081-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
WO-2011036082-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed