SCHEMBL297321

SCHEMBL297321

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NOTUM Q6P988 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
SLC2A1 P11166 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL751188 0.83 SMN1; SMN2 (0.34) ALDH1A1HPGDNOTUMCYP2D6CYP2C19
SCHEMBL272532 0.75 USP2 (0.42) USP2CA2CA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27831 0.73 USP2 (0.41) USP2CA2CA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31124474 0.73 USP2 (0.41) USP2CA2CA4KDM4EALDH1A1
Zinc Ion SCHEMBL9440226 0.71 KDM4E (0.43) USP2CA2CA4KDM4EALDH1A1
SCHEMBL8867815 0.71 CYP2D6 (0.37) USP2CA2CA4KDM4EALDH1A1
SCHEMBL8868151 0.71 USP2 (0.35) USP2CA2CA4KDM4EALDH1A1
SCHEMBL30661308 0.69 CA2 (0.37) CA2CA4KDM4EALDH1A1HPGD
SCHEMBL8868265 0.68 CYP2D6 (0.35) USP2CA2CA4KDM4EALDH1A1
Acetic Acid SCHEMBL149422 0.68 HDAC8 (0.43) USP2KDM4EALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429483-B1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-11-25 EP claimed
EP-2429484-B1 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-03-25 EP claimed
EP-2440174-B1 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO KGAA (DE) 2014-12-17 EP claimed
EP-2440174-A2 AFTERTREATMENT FOR COLOR FIXATION Henkel AG & Co. KGaA (DE) 2012-04-18 EP claimed
EP-2429483-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS Henkel AG & Co. KGaA (DE) 2012-03-21 EP claimed
EP-2429484-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS Henkel AG & Co. KGaA (DE) 2012-03-21 EP 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
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-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130526-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130526-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130510-A2 HAIR SHAPING PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed