SCHEMBL148209

SCHEMBL148209

C=CC[n+]1ccccc1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HDAC8 Q9BY41 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.30
USP2 O75604 1/20 0.30
APOBEC3A P31941 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HTT P42858 1/20 0.30
POLB P06746 2/20 0.30
NPC1 O15118 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
SCHEMBL1654139 0.98 KDM4E (0.43) KDM4ECYP2C19CYP2D6TSHRGAA
Bromide SCHEMBL147695 0.98 KDM4E (0.43) KDM4ECYP2C19CYP2D6TSHRGAA
Benzene SCHEMBL1818234 0.98 KDM4E (0.43) KDM4ECYP2C19CYP2D6TSHRGAA
Hydrochloric Acid SCHEMBL151393 0.98 KDM4E (0.46) KDM4ECYP2C19CYP2D6TSHRGAA
Acetic Acid SCHEMBL148715 0.95 KDM4E (0.41) KDM4ECYP2C19CYP2D6TSHRGAA
Sulfuric Acid SCHEMBL147959 0.91 KDM4E (0.38) KDM4ECYP2C19CYP2D6
Sulfuric Acid SCHEMBL147958 0.91 KDM4E (0.38) KDM4ECYP2C19CYP2D6
SCHEMBL148488 0.87 KDM4E (0.36) KDM4ECYP2C19CYP2D6GAAALDH1A1
SCHEMBL141770 0.84 C5AR1 (0.38) KDM4ECYP2D6TSHRCYP3A4ALDH1A1
Water SCHEMBL4556414 0.83 KDM4E (0.41) KDM4ECYP2C19CYP2D6TSHRCYP3A4

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 86 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-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
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-2315576-B1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO KGAA (DE) 2013-12-25 EP claimed
EP-2488155-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS Henkel AG & Co. KGaA (DE) 2012-08-22 EP claimed
EP-2488154-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS Henkel AG & Co. KGaA (DE) 2012-08-22 EP claimed
EP-2314761-B1 Bleach activators for methods for bleaching cellulose fibres HENKEL AG & CO KGAA (DE) 2012-03-14 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-2934472-B1 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO KGAA (DE) 2017-09-13 EP disclosed
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO disclosed
EP-2651377-B1 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED SURFACTANT COMBINATION HENKEL AG & CO KGAA (DE) 2017-04-12 EP disclosed
EP-2552394-B1 DYE WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2016-11-02 EP disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO disclosed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO disclosed