SCHEMBL290938

SCHEMBL290938

CC(=O)c1cc[n+](CCO)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.41
PTGS1 P23219 1/20 0.39
GAA P10253 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.32
PTGER4 P35408 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NSD2 O96028 1/20 0.30
ESR1 P03372 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
SCHEMBL291072 0.89 PTGS1 (0.40) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL290802 0.88 PTGS1 (0.39) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL290247 0.87 PTGS1 (0.37) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL4303542 0.86 PTGS1 (0.42) PTGS1GAAALDH1A1PKMKDM4E
SCHEMBL290657 0.86 PTGS1 (0.38) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL290936 0.85 PTGS1 (0.37) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL24353 0.85 PTGS1 (0.43) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL290902 0.84 ALDH1A1 (0.40) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL1716993 0.81 PTGS1 (0.39) HSD17B1PTGS1GAAALDH1A1PKM
SCHEMBL1712127 0.80 PTGS1 (0.38) HSD17B1PTGS1GAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 EP claimed
EP-2271302-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2011-01-12 EP claimed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 WO claimed
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2306963-B1 MATTING ADDITIVE FOR BLEACHING HENKEL AG & CO KGAA (DE) 2018-03-28 EP disclosed
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 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-2344113-A2 MEANS FOR TREATING KERATIN FIBRES CONTAINING CATIONIC PYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-07-20 EP disclosed
EP-2306963-A1 MATTING ADDITIVE FOR BLOND HAIR DYING Henkel AG & Co. KGaA (DE) 2011-04-13 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-2010015441-A1 MATTING ADDITIVE FOR BLOND HAIR DYING HENKEL AG & CO. KGAA (DE) 2010-02-11 WO disclosed