SCHEMBL23221

SCHEMBL23221

CC(=O)c1cccc[n+]1C.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
GAA P10253 4/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 1/20 0.33
ATM Q13315 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B1 P14061 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PKLR P30613 1/20 0.31
CYTH2 Q99418 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
SCHEMBL1712547 0.87 PTGS1 (0.44) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL1712435 0.84 PTGS1 (0.38) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL1716993 0.84 PTGS1 (0.39) PTGS1GAAALDH1A1PKMHSD17B1
SCHEMBL289299 0.83 PTGS1 (0.37) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL3892102 0.83 PTGS1 (0.43) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL290993 0.82 PTGS1 (0.36) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL1716791 0.82 PTGS1 (0.35) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL1034143 0.82 CYP2D6 (0.43) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL290624 0.81 PTGS1 (0.35) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL24353 0.81 PTGS1 (0.43) PTGS1GAAALDH1A1PKMHSD17B1

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 259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934472-B1 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO KGAA (DE) 2017-09-13 EP claimed
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO claimed
EP-2651377-B1 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED SURFACTANT COMBINATION HENKEL AG & CO KGAA (DE) 2017-04-12 EP claimed
EP-2552394-B1 DYE WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2016-11-02 EP claimed
EP-2934472-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER Henkel AG & Co. KGaA (DE) 2015-10-28 EP claimed
EP-2552393-B1 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2015-03-04 EP claimed
EP-2440174-B1 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO KGAA (DE) 2014-12-17 EP claimed
WO-2014095179-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO. KGAA (DE) 2014-06-26 WO claimed
EP-2726054-A2 BLEACHING AGENT WITH ACYLPYRIDINIUM COMPOUNDS FOR REDUCED HAIR DAMAGE Henkel AG&Co. KGAA (DE) 2014-05-07 EP claimed
EP-2315576-B1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO KGAA (DE) 2013-12-25 EP claimed
EP-2314761-A1 Bleach activators for methods for bleaching cellulose fibres Henkel AG & Co. KGaA (DE) 2011-04-27 EP claimed
WO-2011045142-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO claimed
WO-2011045134-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO claimed
EP-2295027-A2 Intensive protective dye Henkel AG & Co. KGaA (DE) 2011-03-16 EP claimed
WO-2010142493-A2 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
WO-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010130526-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010130510-A2 HAIR SHAPING PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO claimed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO claimed