SCHEMBL536804

SCHEMBL536804

CCC(O)CC(CC)COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 4/20 0.36
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC13A5 Q86YT5 2/20 0.31
DUSP3 P51452 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
SCHEMBL28488194 0.88 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRCYP3A4ATM
SCHEMBL15512778 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL537042 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRCYP3A4ATM
SCHEMBL536457 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRCYP3A4ATM
Citric Acid SCHEMBL10007672 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL1857521 0.81 CYP3A4 (0.57) ALDH1A1KDM4ETSHRCYP3A4ATM
SCHEMBL24971050 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL8968381 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL12114174 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRCYP3A4TDP1
SCHEMBL536599 0.78 TSHR (0.44) ALDH1A1KDM4ETSHRCYP3A4ATM

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 8 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-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed