SCHEMBL536522

SCHEMBL536522

CCCCC(O)COC(=O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
GPR84 Q9NQS5 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
NFKB1 P19838 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL536934 0.94 GPR84 (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL15512579 0.92 GPR84 (0.52) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL16248452 0.88 KDM4E (0.43) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL15512244 0.88 KDM4E (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1525837 0.83 KDM4E (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL16248488 0.82 GPR84 (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL15512638 0.82 USP2 (0.37) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL537097 0.82 FFAR4 (0.43) MAPTGPR84CA1CA2TSHR
SCHEMBL1525836 0.82 GPR84 (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL340271 0.82 ALDH1A1 (0.50) KDM4EDUSP3MEN1KMT2ALMNA

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