SCHEMBL537097

SCHEMBL537097

CCCCC(O)CCOC(=O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
CA1 P00915 3/20 0.42
NFKB1 P19838 1/20 0.42
GPR84 Q9NQS5 5/20 0.41
CA2 P00918 1/20 0.40
FAAH O00519 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
FDPS P14324 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1498119 0.94 CA1 (0.50) FFAR4FFAR1CA1NFKB1GPR84
SCHEMBL536467 0.88 CA1 (0.36) FFAR4FFAR1CA1NFKB1MAPT
SCHEMBL1498054 0.83 FFAR4 (0.42) FFAR4FFAR1CA1NFKB1GPR84
SCHEMBL3249672 0.82 ALDH1A1 (0.59) FFAR4FFAR1CA1NFKB1GPR84
SCHEMBL3250244 0.82 ALDH1A1 (0.59) FFAR4FFAR1CA1NFKB1GPR84
SCHEMBL3250246 0.82 ALDH1A1 (0.59) FFAR4FFAR1CA1NFKB1GPR84
SCHEMBL536522 0.82 KDM4E (0.43) FFAR4FFAR1CA1NFKB1GPR84
SCHEMBL15512242 0.82 CHRNB2 (0.34) CA1CA2TSHR
SCHEMBL2103330 0.81 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTTSHRATM
SCHEMBL992236 0.81 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTTSHRATM

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 9 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
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