SCHEMBL128535

SCHEMBL128535

CC(O)Oc1cc(N)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
ALOX5 P09917 1/20 0.46
CA2 P00918 3/20 0.42
CASP1 P29466 2/20 0.42
TSHR P16473 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
PRKCI P41743 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 2/20 0.38
HTT P42858 2/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7076235 1.00 PDE10A (0.47) PDE10AALOX5CA2CASP1TSHR
SCHEMBL109611 0.86 TSHR (0.45) PDE10AALOX5CA2CASP1TSHR
SCHEMBL13963701 0.86 PDE10A (0.48) PDE10AALOX5CA2CASP1TSHR
SCHEMBL8535136 0.85 ALOX5 (0.47) PDE10AALOX5CA2CASP1TSHR
Hydrochloric Acid SCHEMBL9794557 0.85 CASP1 (0.44) PDE10AALOX5CA2CASP1TSHR
Water SCHEMBL9794576 0.85 TSHR (0.44) PDE10AALOX5CA2CASP1TSHR
SCHEMBL214546 0.84 ALDH1A1 (0.42) PDE10AALOX5CASP1TSHRALDH1A1
2,4-Diaminophenol SCHEMBL19327373 0.84 ALDH1A1 (0.44) PDE10AALOX5CA2CASP1TSHR
Hydrochloric Acid SCHEMBL9794552 0.83 CASP1 (0.42) PDE10AALOX5CA2CASP1TSHR
SCHEMBL11691601 0.82 CASP1 (0.45) PDE10AALOX5CASP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP disclosed
EP-1862198-B1 Brightening and/or dyeing agent with urea derivatives HENKEL AG & CO KGAA (DE) 2017-04-05 EP disclosed
EP-1761235-B1 COLORANTS CONTAINING VESICLES FOR KERATIN FIBRES HENKEL AG & CO KGAA (DE) 2016-03-09 EP disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
EP-1658234-B2 STABILISATION OF HYDROGEN PEROXIDE DURING DISSOLVING ALKALISING AGENT IN HYDROGEN PEROXIDE-CONTAINING SYSTEMS HENKEL AG & CO KGAA (DE) 2015-05-13 EP disclosed
EP-1893168-B2 HAIR CARE AGENTS HENKEL AG & CO KGAA (DE) 2013-12-11 EP disclosed
EP-1771145-B1 Agents for the simultaneous dyeing and bleaching of keratin-containing fibers HENKEL AG & CO KGAA (DE) 2012-11-21 EP disclosed
EP-1778363-B1 STABLE GEL-FORMULATION WITH INCREASED ELECTROLYTE CONCENTRATION HENKEL AG & CO KGAA (DE) 2012-08-01 EP disclosed
EP-1669108-B1 Odour-reducing hair treatment and composition HENKEL AG & CO KGAA (DE) 2012-03-07 EP disclosed
EP-1986590-B1 RHEOPEXY GELS AS VEHICLES HENKEL AG & CO KGAA (DE) 2011-11-16 EP disclosed
US-20050166938-A1 Device for treating keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-08-04 US disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
WO-2005051336-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-06-09 WO disclosed
WO-2005034896-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-21 WO disclosed
WO-2005027861-A1 AGENTS FOR REDUCING SCALP COLORING DURING HAIR COLORING PROCESSES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-31 WO disclosed
WO-2005021427-A1 STABILISATION OF HYDROGEN PEROXIDE DURING DISSOLVING ALKALISING AGENT IN HYDROGEN PEROXIDE-CONTAINING SYSTEMS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-10 WO disclosed
EP-1301163-B1 OXIDATIVE HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2,4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KGAA (DE) 2005-01-26 EP disclosed
EP-1430874-A2 4-N, N-Bis-(monohydroxyalkyl)amino-3-nitrophenol derivatives in dyeing compositions for keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 EP disclosed
EP-1301163-A1 OXIDISED HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2.4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-16 EP disclosed
WO-2002005767-A1 OXIDISED HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2.4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 WO disclosed