SCHEMBL727288

SCHEMBL727288

C=CCN(CC=C)CC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 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
SCHEMBL19778365 0.83 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2343048 0.80 MEN1 (0.40) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL9249194 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
Acetic Acid SCHEMBL4551735 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2339828 0.78 MEN1 (0.39) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL14586754 0.78
SCHEMBL175747 0.77 TDP1 (0.50) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2820192 0.77 CYP1A2 (0.46) ALDH1A1KMT2AMEN1TDP1
SCHEMBL24444709 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TRPA1KDM4E
SCHEMBL13040556 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TRPA1KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046933-B1 DETERGENT COMPOSITION RECKITT BENCKISER NV (NL) 2015-07-15 EP claimed
WO-2017186480-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-11-02 WO disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
EP-2995607-A1 Direct amination of alcohols with heteropoly acids Taminco bvba (BE) 2016-03-16 EP disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
US-20090289221-A1 Use Of Aminoacetones And Salts Thereof As Bleaching Boosters For Peroxygen Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2009-11-26 US disclosed
EP-2049643-A1 USE OF AMINOACETONES AND SALTS THEREOF AS BLEACHING BOOSTERS FOR PEROXYGEN COMPOUNDS Clariant Finance (BVI) Limited (VG) 2009-04-22 EP disclosed
WO-2008014965-A1 USE OF AMINOACETONES AND SALTS THEREOF AS BLEACHING BOOSTERS FOR PEROXYGEN COMPOUNDS CLARIANT FINANCE (BVI) LIMITED (VG) 2008-02-07 WO disclosed