SCHEMBL1712435

SCHEMBL1712435

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
GAA P10253 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 2/20 0.33
GFER P55789 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
CYTH2 Q99418 1/20 0.32
NSD2 O96028 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL289299 0.90 PTGS1 (0.37) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL290993 0.89 PTGS1 (0.36) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1034143 0.88 CYP2D6 (0.43) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1716791 0.88 PTGS1 (0.35) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL290624 0.87 PTGS1 (0.35) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL291133 0.86 PTGS1 (0.34) PTGS1GAAALDH1A1PKMESR1
SCHEMBL23221 0.84 PTGS1 (0.40) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1712547 0.81 PTGS1 (0.44) PTGS1GAAALDH1A1PKMPOLB
Sulfuric Acid SCHEMBL2183752 0.79 CYP2D6 (0.36) ALDH1A1PKMPOLBKMT2AMEN1
Sulfuric Acid SCHEMBL1716752 0.79 CYP2D6 (0.36) ALDH1A1KMT2AMEN1L3MBTL1LMNA

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 7 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-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-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