SCHEMBL536390

SCHEMBL536390

CCC(COC(=O)CCCCC(=O)O)CC(CC)OC(=O)CCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PRKCA P17252 2/20 0.49
PRKCE Q02156 2/20 0.49
PRKCQ Q04759 2/20 0.49
PRKCD Q05655 2/20 0.49
LPAR3 Q9UBY5 7/20 0.47
LPAR1 Q92633 4/20 0.47
ENPP2 Q13822 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPAR2 Q9HBW0 2/20 0.46
TLR2 O60603 2/20 0.44

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
SCHEMBL15512198 0.86 ALDH1A1 (0.65) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9862400 0.84 TSHR (0.66) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL10974992 0.82 TSHR (0.64) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL4254210 0.82 ALDH1A1 (0.68) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL537215 0.82 CYP3A4 (0.55) ALDH1A1LMNACYP3A4TSHRATM
Octanoic Acid SCHEMBL28598969 0.81 ALDH1A1 (0.77) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10673241 0.81 MAPK1 (0.53) ALDH1A1LMNATSHRTDP1TLR2
Tricaprilin SCHEMBL25199023 0.80 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Palmitic Acid SCHEMBL2788109 0.80 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Stearic Acid SCHEMBL17144666 0.80 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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