SCHEMBL123882

SCHEMBL123882

Nc1cc(CCO)c([N+](=O)[O-])c(CCO)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
CA9 Q16790 5/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
GAA P10253 2/20 0.36
NSD2 O96028 1/20 0.36
PLCG1 P19174 1/20 0.36
DNMT1 P26358 1/20 0.36
CASP6 P55212 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.33
CA4 P22748 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
S100A4 P26447 1/20 0.31
SNCA P37840 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
SCHEMBL211655 0.79 HTT (0.39) GPR35GAAPOLBHTTTSHR
SCHEMBL13726953 0.78 TSHR (0.43) GAAPOLBHTTTSHRTHRB
SCHEMBL2838100 0.77 PKM (0.42) GAAPOLBTSHRALDH1A1
SCHEMBL8849833 0.75 SNCA (0.38) GPR35CA9CA12CA1CA2
SCHEMBL4650014 0.74 TSHR (0.43) GAAPOLBHTTTSHRTHRB
SCHEMBL8108409 0.74 ALDH1A1 (0.39) POLBHTTTSHRALDH1A1CYP3A4
SCHEMBL10889425 0.74 ALDH1A1 (0.39) GPR35POLBHTTTSHRTHRB
SCHEMBL11743511 0.74 POLB (0.34) POLBHTTTSHRALDH1A1
SCHEMBL9820373 0.73 POLB (0.33) POLBHTTTSHR
SCHEMBL9229073 0.72 HTT (0.38) GAAPOLBHTTTSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
EP-2400946-B1 COMPOSITION CONTAINING A DYE AND 3-PHENYL-1-PROPANOL AND DYEING OF KERATIN FIBRES OREAL (FR) 2018-10-24 EP disclosed
EP-2198838-B1 Process and kit for lightening or direct or oxidative dyeing keratinic fibers with an aqueous composition rich in fatty compounds OREAL (FR) 2018-09-05 EP disclosed
EP-2234588-B1 COMPOSITION COMPRISING AN ALKANOLAMINE, AN AMINO ACID AND A CATIONIC POLYMER OREAL (FR) 2018-06-27 EP disclosed
EP-1963436-B1 SPECIFIC DYES OF NAPHTHALIMIDE TYPE, DYEING COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USES OREAL (FR) 2018-04-25 EP disclosed
EP-1935455-B2 Direct dye composition comprising a cationic surfactant, a bioheteropolysaccharide, an amphoteric surfactant and a direct dye OREAL (FR) 2018-03-28 EP disclosed
EP-1584327-B1 Hair treatment method and its use L'ORÉAL (FR) 2018-02-28 EP disclosed
EP-2379176-B1 METHOD FOR LIGHTENING HAIR USING A DIRECT EMULSION COMPRISING AN OXIDISING AGENT AND AN ALKALINE AGENT L'ORÉAL (FR) 2018-02-14 EP disclosed
EP-2072034-B2 Process for lightening direct dyeing or oxidation dyeing in the presence of a particular organic amine, device therefore and anhydrous composition L'ORÉAL (FR) 2017-12-06 EP disclosed
EP-1428505-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic direct dye containing a heterocyclic group ; method and use L'OREAL (FR) 2004-06-16 EP disclosed
EP-1428506-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polymere containing a fatty chain; method and use L'OREAL (FR) 2004-06-16 EP disclosed
EP-1398355-A1 Composition for dyeing keratinous fibres comprising a monoazo monocationic dye L'OREAL (FR) 2004-03-17 EP disclosed
EP-1386602-A1 Process for preparing a dyeing composition for dyeing keratinous fibres from pressurized vapour L'OREAL (FR) 2004-02-04 EP disclosed
EP-1380820-A1 Procedure of determining the composition of a dyeing product L'OREAL S.A. (FR) 2004-01-14 EP disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (FR) 2003-05-21 EP disclosed
EP-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 EP disclosed