SCHEMBL291133

SCHEMBL291133

COCC[n+]1ccccc1C(C)=O.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ESR1 P03372 1/20 0.31
ATM Q13315 1/20 0.31
ESR2 Q92731 1/20 0.31
HPGD P15428 1/20 0.30
MAPT P10636 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
SCHEMBL290993 0.88 PTGS1 (0.36) PTGS1ALDH1A1GAAPKMMEN1
SCHEMBL1712435 0.86 PTGS1 (0.38) PTGS1ALDH1A1GAAPKMMEN1
SCHEMBL289299 0.85 PTGS1 (0.37) PTGS1ALDH1A1GAAPKMMEN1
SCHEMBL1716791 0.83 PTGS1 (0.35) PTGS1ALDH1A1GAAPKMMEN1
SCHEMBL1034143 0.83 CYP2D6 (0.43) PTGS1ALDH1A1GAAPKMMEN1
SCHEMBL290624 0.82 PTGS1 (0.35) PTGS1ALDH1A1GAAPKM
Sulfuric Acid SCHEMBL2184344 0.82 MAPK1 (0.35) ALDH1A1MEN1KMT2AHPGDMAPT
Sulfuric Acid SCHEMBL1712788 0.82 MAPK1 (0.35) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL291055 0.81 MAPK1 (0.38) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL290247 0.81 PTGS1 (0.37) PTGS1ALDH1A1GAAPKMMEN1

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 10 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-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
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