SCHEMBL536884

SCHEMBL536884

CCCCC(COC(=O)C(C)O)OC(=O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.39
PRKCA P17252 4/20 0.38
PRKCD Q05655 2/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL15821165 0.85 CTSK (0.46) ALDH1A1LMNAMAPTPRKCAPRKCD
SCHEMBL15512582 0.84 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL15512391 0.84 PRKCA (0.33) ALDH1A1LMNAPRKCAPRKCDPRKCE
SCHEMBL17345954 0.83 PRKCA (0.52) ALDH1A1LMNAMAPTPRKCAPRKCD
SCHEMBL15903383 0.83 PRKCA (0.52) ALDH1A1LMNAMAPTPRKCAPRKCD
SCHEMBL29384224 0.82 ALDH1A1 (0.37) ALDH1A1LMNAPRKCA
SCHEMBL30531670 0.82 ALDH1A1 (0.37) ALDH1A1LMNAPRKCA
SCHEMBL30531665 0.82 ALDH1A1 (0.37) ALDH1A1LMNAPRKCA
SCHEMBL297615 0.81 FAAH (0.47) ALDH1A1LMNAMAPTCA1FAAH
SCHEMBL2295564 0.81 FAAH (0.47) ALDH1A1LMNAMAPTCA1FAAH

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 6 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