SCHEMBL536934

SCHEMBL536934

CCCCCC(O)COC(=O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CA1 P00915 2/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPT P10636 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42

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
SCHEMBL15512579 0.98 GPR84 (0.52) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL536522 0.94 KDM4E (0.43) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL16248488 0.89 GPR84 (0.48) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL16248448 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL16248447 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL16248446 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL16248449 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL16248487 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL16248481 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL16248455 0.87 GPR84 (0.52) GPR84FFAR1FFAR4KDM4EDUSP3

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-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-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed