SCHEMBL536456

SCHEMBL536456

CC(O)C(=O)OCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
NAAA Q02083 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 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
SCHEMBL1498093 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL3482971 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL1498116 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL3846617 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL6060295 0.98 ACHE (0.43) ACHENAAACYP4F2CYP4A11GAA
Myristyl Alcohol SCHEMBL23572569 0.92 ACHE (0.53) ACHENAAAALDH1A1TSHREPHX1
1,4-Butanediol SCHEMBL6281294 0.92 ACHE (0.53) ACHENAAAALDH1A1TSHREPHX1
Cetyl Alcohol SCHEMBL27525642 0.92 ACHE (0.53) ACHENAAAALDH1A1TSHREPHX1
SCHEMBL3460925 0.91 ACHE (0.36) ACHEALDH1A1
SCHEMBL3482815 0.89 GPR84 (0.55) ALDH1A1TSHR

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