SCHEMBL536561

SCHEMBL536561

CC(O)CCCCOC(=O)CCCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
DGKA P23743 1/20 0.43
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
PAM P19021 2/20 0.40
PLA2G2A P14555 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
LMNA P02545 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38

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
SCHEMBL15512522 0.95 MAPT (0.46) MAPTALDH1A1FFAR4FFAR1DGKA
SCHEMBL21694923 0.93 MAPT (0.49) MAPTALDH1A1FFAR4FFAR1DGKA
SCHEMBL19814924 0.93 MAPT (0.50) MAPTALDH1A1DGKATSHRPLA2G2A
SCHEMBL28289274 0.91 MAPT (0.53) MAPTALDH1A1DGKAPLA2G2AL3MBTL1
SCHEMBL1258235 0.89 MAPT (0.47) MAPTALDH1A1FFAR4FFAR1DGKA
SCHEMBL19815012 0.89 MAPT (0.46) MAPTALDH1A1DGKATSHRPLA2G2A
SCHEMBL8679685 0.88 MAPT (0.50) MAPTALDH1A1FFAR4FFAR1DGKA
SCHEMBL28771233 0.88 KDM4C (0.46) ALDH1A1FFAR4FFAR1DGKANPC1
SCHEMBL963696 0.88 MAPT (0.50) MAPTALDH1A1FFAR4FFAR1DGKA
SCHEMBL19815617 0.87 ADRA2A (0.48) MAPTALDH1A1DGKAPLA2G2AL3MBTL1

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