SCHEMBL536621

SCHEMBL536621

CCCC(CCOC(=O)C(C)O)OC(=O)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30

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
SCHEMBL4530674 0.90 CTSK (0.40) CTSKHDAC1HDAC2HDAC7HDAC8
SCHEMBL15821165 0.83 CTSK (0.46) CTSKPRKCAPRKCDTDP1
SCHEMBL4840489 0.82 PRKCA (0.44) CTSKHDAC1HDAC2PRKCAPRKCD
SCHEMBL4529720 0.81 CA1 (0.46) CTSK
SCHEMBL17961068 0.80 NAAA (0.44)
SCHEMBL27597900 0.79 CTSK (0.40) CTSKHDAC1HDAC2PRKCAPRKCD
SCHEMBL536467 0.79 CA1 (0.36) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL536311 0.77 HDAC1 (0.35) CTSKHDAC1HDAC2HDAC3HDAC4
SCHEMBL15512478 0.76 FAAH (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30609204 0.76 FAAH (0.36) CHRNB2CHRNA4CHRNB4CHRNA3

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