SCHEMBL536981

SCHEMBL536981

CCC(O)CCCCOC(=O)CCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.53
FFAR1 O14842 2/20 0.53
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DGKA P23743 1/20 0.44
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PAM P19021 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL19815037 0.97 FFAR4 (0.49) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL536514 0.95 FFAR4 (0.50) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL23926220 0.93 L3MBTL1 (0.50) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL15512631 0.90 FFAR4 (0.47) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL20772742 0.90 L3MBTL1 (0.47) ALDH1A1L3MBTL1DGKACYP3A4TSHR
SCHEMBL15512758 0.89 FFAR4 (0.60) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL22028555 0.88 HTR2C (0.46) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL23926225 0.88 DGKA (0.52) FFAR4ALDH1A1L3MBTL1DGKACYP3A4
SCHEMBL18968293 0.87 DGKA (0.62) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL18969548 0.87 DGKA (0.62) FFAR4FFAR1ALDH1A1L3MBTL1DGKA

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 12 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-3491044-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS Versalis S.p.A. (IT) 2019-06-05 EP disclosed
WO-2018020440-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2018-02-01 WO disclosed
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