SCHEMBL536605

SCHEMBL536605

CCC(O)CCCCOC(=O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.36
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
NAAA Q02083 1/20 0.34
CA1 P00915 1/20 0.34
NFKB1 P19838 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL536891 0.94 ALDH1A1 (0.34) GPR84FFAR4FFAR1CA1ALDH1A1
SCHEMBL1498054 0.87 FFAR4 (0.42) GPR84FFAR4FFAR1NAAACA1
SCHEMBL15512242 0.86 CHRNB2 (0.34) CA1
SCHEMBL77528 0.83 NAAA (0.39) NAAAALDH1A1
SCHEMBL28573510 0.83 ACE2 (0.38) NAAA
SCHEMBL28577151 0.83 ACE2 (0.38) NAAA
SCHEMBL536577 0.82 ALDH1A1 (0.36) NAAACA1ALDH1A1MAPT
SCHEMBL3015275 0.82 BLM (0.41) NAAACA1
SCHEMBL18968288 0.81 ALDH1A1 (0.52) GPR84FFAR4FFAR1NAAAALDH1A1
SCHEMBL18968287 0.81 ALDH1A1 (0.52) GPR84FFAR4FFAR1NAAAALDH1A1

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