SCHEMBL290993

SCHEMBL290993

CC(=O)c1cccc[n+]1CCO.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B1 P14061 1/20 0.30
CYTH2 Q99418 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
SCHEMBL1712435 0.89 PTGS1 (0.38) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL291133 0.88 PTGS1 (0.34) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL289299 0.88 PTGS1 (0.37) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1034143 0.86 CYP2D6 (0.43) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1716791 0.86 PTGS1 (0.35) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1712127 0.85 PTGS1 (0.38) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL290624 0.85 PTGS1 (0.35) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL23221 0.82 PTGS1 (0.40) PTGS1GAAALDH1A1PKMPOLB
Sulfuric Acid SCHEMBL2185375 0.80 CYP2D6 (0.34) ALDH1A1PKMPOLBKMT2A
Sulfuric Acid SCHEMBL1030156 0.80 CYP2D6 (0.34) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2427247-B1 FOIL APPLICATOR HENKEL AG & CO KGAA (DE) 2013-12-18 EP disclosed
EP-2488155-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS Henkel AG & Co. KGaA (DE) 2012-08-22 EP disclosed
EP-2427247-A2 FOIL APPLICATOR Henkel AG & Co. KGaA (DE) 2012-03-14 EP disclosed
EP-2320854-B1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO KGAA (DE) 2012-01-18 EP disclosed
EP-2344113-A2 MEANS FOR TREATING KERATIN FIBRES CONTAINING CATIONIC PYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-07-20 EP disclosed
EP-2320854-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-05-18 EP disclosed
WO-2011045142-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO disclosed
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 EP disclosed
WO-2010127902-A2 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2010-11-11 WO disclosed
WO-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed