SCHEMBL536891

SCHEMBL536891

CCC(O)CCCOC(=O)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
ATM Q13315 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL536605 0.94 GPR84 (0.36) ALDH1A1GPR84CA1FFAR4FFAR1
SCHEMBL15512242 0.88 CHRNB2 (0.34) CA1CA2MEN1KMT2A
SCHEMBL27695705 0.83 ALDH1A1 (0.39) ALDH1A1GPR84CA1CA2FFAR4
SCHEMBL1603012 0.81 BLM (0.42) ALDH1A1CA1CA2TDP1
SCHEMBL15512289 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AATM
SCHEMBL1498054 0.81 FFAR4 (0.42) ALDH1A1GPR84CA1FFAR4FFAR1
SCHEMBL77528 0.80 NAAA (0.39) ALDH1A1MEN1KMT2AATM
SCHEMBL1518024 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AATM
SCHEMBL23926224 0.80 MGAM (0.43) ALDH1A1GPR84CA1CA2MEN1
SCHEMBL19814933 0.80 DGKA (0.44) ALDH1A1MEN1KMT2ATDP1FFAR4

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