SCHEMBL9317626

SCHEMBL9317626

CC(CCOC(=O)CCCCC(=O)O)OC(=O)CCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 2/20 0.40
PAM P19021 2/20 0.40
MAPT P10636 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL3883813 0.97 TSHR (0.46) DGKATSHRLMNAALDH1A1PAM
SCHEMBL15512804 0.92 DGKA (0.42) DGKATSHRLMNAALDH1A1PAM
SCHEMBL536517 0.90 ALDH1A1 (0.42) DGKATSHRLMNAALDH1A1PAM
SCHEMBL1498053 0.89 ALDH1A1 (0.44) DGKALMNAALDH1A1PAM
SCHEMBL21266960 0.86 DGKA (0.61) DGKATSHRLMNAALDH1A1PAM
SCHEMBL29308246 0.86 DGKA (0.61) DGKATSHRLMNAALDH1A1PAM
SCHEMBL29582411 0.86 DGKA (0.61) DGKATSHRLMNAALDH1A1PAM
SCHEMBL23159109 0.85 DGKA (0.65) DGKALMNAALDH1A1PAMMAPT
SCHEMBL21267047 0.85 DGKA (0.65) DGKALMNAALDH1A1PAMMAPT
SCHEMBL22829585 0.85 DGKA (0.65) DGKALMNAALDH1A1PAMMAPT

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 5 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
US-5364956-A Dehydration esterification MATSUMOTO SATOSHI (JP) 1994-11-15 US disclosed