SCHEMBL536764

SCHEMBL536764

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 5/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
SLC13A5 Q86YT5 5/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2D6 P10635 2/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP1A2 P05177 1/20 0.31
DUSP3 P51452 1/20 0.31
PRKCA P17252 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL425246 0.92 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL28496264 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL2829363 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL28706880 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL28501142 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL168114 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL489813 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTTSHR
Citric Acid SCHEMBL8626231 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTTSHR
Lactic Acid SCHEMBL27089411 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTTSHR
Citric Acid SCHEMBL425247 0.82 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPTTSHR

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-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-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-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