SCHEMBL536541

SCHEMBL536541

CCCC(OC(=O)CCCCC(=O)O)C(CC)COC(=O)CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.48
PRKCE Q02156 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCD Q05655 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.42
TLR2 O60603 2/20 0.41
PAM P19021 2/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
ENPP2 Q13822 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9235195 0.90 LMNA (0.60) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL8052299 0.86 PRKCA (0.43) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL536431 0.82 CYP3A4 (0.50) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL28313116 0.82 AKR1B1 (0.47) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL31171878 0.82 PRKCA (0.64) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL19837656 0.81 MAPT (0.50) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL30057520 0.81 AKR1B1 (0.46) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL15573938 0.80 PRKCA (0.49) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL11857857 0.79 PRKCA (0.50) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL11285977 0.79 TSHR (0.46) PRKCAPRKCEPRKCQPRKCDALDH1A1

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 10 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-2480192-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 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
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
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