SCHEMBL290657

SCHEMBL290657

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
HSD17B1 P14061 2/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RCE1 Q9Y256 1/20 0.33
LMNA P02545 2/20 0.31
PTGER4 P35408 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL290802 0.91 PTGS1 (0.39) PTGS1HSD17B1ALDH1A1GAAPKM
SCHEMBL291072 0.87 PTGS1 (0.40) PTGS1HSD17B1ALDH1A1GAAPKM
SCHEMBL290938 0.86 HSD17B1 (0.41) PTGS1HSD17B1ALDH1A1GAAPKM
SCHEMBL290936 0.85 PTGS1 (0.37) PTGS1HSD17B1ALDH1A1GAAPKM
SCHEMBL290247 0.83 PTGS1 (0.37) PTGS1HSD17B1ALDH1A1GAAPKM
SCHEMBL24353 0.83 PTGS1 (0.43) PTGS1HSD17B1ALDH1A1GAAPKM
SCHEMBL290902 0.82 ALDH1A1 (0.40) PTGS1HSD17B1ALDH1A1GAAPKM
Sulfuric Acid SCHEMBL140272 0.79 KMT2A (0.36) ALDH1A1MEN1KMT2ARCE1LMNA
Sulfuric Acid SCHEMBL140273 0.79 KMT2A (0.36) ALDH1A1MEN1KMT2ARCE1LMNA
SCHEMBL1716791 0.79 PTGS1 (0.35) 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 13 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-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