SCHEMBL1498053

SCHEMBL1498053

CC(CCCCCCOC(=O)CCCCC(=O)O)OC(=O)CCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
DGKA P23743 1/20 0.43
LMNA P02545 3/20 0.41
FAAH O00519 4/20 0.40
PAM P19021 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL536517 0.98 ALDH1A1 (0.42) ALDH1A1DGKALMNAFAAHPAM
SCHEMBL15512804 0.94 DGKA (0.42) ALDH1A1DGKALMNAPAMNPC1
SCHEMBL8448726 0.92 ALDH1A1 (0.43) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL17165699 0.91 GPR84 (0.44) ALDH1A1DGKALMNAPAMFFAR4
SCHEMBL9317626 0.89 DGKA (0.43) ALDH1A1DGKALMNAPAM
Octyl Tetradecanoate SCHEMBL29217972 0.88 DGKA (0.61) ALDH1A1DGKALMNAFAAHCNR1
SCHEMBL17046546 0.88 DGKA (0.61) ALDH1A1DGKALMNAFAAHCNR1
SCHEMBL29036493 0.88 DGKA (0.61) ALDH1A1DGKALMNAFAAHCNR1
SCHEMBL6136048 0.88 DGKA (0.61) ALDH1A1DGKALMNAFAAHCNR1
SCHEMBL31396784 0.88 DGKA (0.61) ALDH1A1DGKALMNAFAAHCNR1

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-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
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-2011036081-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed