SCHEMBL290902

SCHEMBL290902

CC(=O)c1cc[n+](Cc2ccccc2)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.36
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 1/20 0.35
HSD17B1 P14061 1/20 0.35
HPGD P15428 1/20 0.35
CHKA P35790 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.34
NSD2 O96028 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL9246833 0.88 PTGS1 (0.41) ALDH1A1GAAMAPTGFERL3MBTL1
SCHEMBL291072 0.85 PTGS1 (0.40) ALDH1A1GAAMAPTL3MBTL1PKM
SCHEMBL290938 0.84 HSD17B1 (0.41) ALDH1A1GAAMAPTL3MBTL1PKM
SCHEMBL290802 0.84 PTGS1 (0.39) ALDH1A1GAAPKMLMNAPTGS1
SCHEMBL290657 0.82 PTGS1 (0.38) ALDH1A1GAAPKMLMNAPTGS1
SCHEMBL1034143 0.81 CYP2D6 (0.43) ALDH1A1GAAGFERL3MBTL1NPSR1
SCHEMBL290247 0.81 PTGS1 (0.37) ALDH1A1GAAMAPTPKMLMNA
SCHEMBL290936 0.81 PTGS1 (0.37) ALDH1A1GAAPKMPTGS1HSD17B1
SCHEMBL24353 0.81 PTGS1 (0.43) ALDH1A1GAAMAPTPKMLMNA
Sulfuric Acid SCHEMBL141655 0.80 LMNA (0.47) ALDH1A1GAAMAPTGFERL3MBTL1

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 8 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-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-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-2010015441-A1 MATTING ADDITIVE FOR BLOND HAIR DYING HENKEL AG & CO. KGAA (DE) 2010-02-11 WO disclosed