SCHEMBL291072

SCHEMBL291072

CC[n+]1ccc(C(C)=O)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
HSD17B1 P14061 3/20 0.39
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PTGER4 P35408 1/20 0.33
NSD2 O96028 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 4/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL290938 0.89 HSD17B1 (0.41) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290802 0.89 PTGS1 (0.39) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290657 0.87 PTGS1 (0.38) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290247 0.86 PTGS1 (0.37) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290936 0.86 PTGS1 (0.37) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL24353 0.86 PTGS1 (0.43) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290902 0.85 ALDH1A1 (0.40) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL4627230 0.82 PTGS1 (0.40) PTGS1GAAALDH1A1PKMRECQL
SCHEMBL1716993 0.81 PTGS1 (0.39) PTGS1HSD17B1GAAALDH1A1PKM
Sulfuric Acid SCHEMBL141955 0.78 KMT2A (0.38) ALDH1A1PKMRECQLL3MBTL1LMNA

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 15 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-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-2355778-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING Henkel AG & Co. KGaA (DE) 2011-08-17 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-2271302-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2011-01-12 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-2010066720-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING HENKEL AG & CO. KGAA (DE) 2010-06-17 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
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 disclosed