SCHEMBL453061

SCHEMBL453061

CCOc1cc(C)c(O)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CREBBP Q92793 1/20 0.45
ESR1 P03372 3/20 0.44
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41

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
Hydrochloric Acid SCHEMBL9023543 0.98 MAPT (0.47) ALDH1A1MAPTHSD17B10POLBMEN1
SCHEMBL5367194 0.93 PDE4A (0.47) ALDH1A1MAPTHSD17B10POLBMEN1
SCHEMBL23804826 0.86 MAPT (0.53) ALDH1A1MAPTHSD17B10POLBMEN1
SCHEMBL9704738 0.82 ESR1 (0.51) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL29358090 0.82 MAPT (0.53) ALDH1A1MAPTHSD17B10POLBMEN1
SCHEMBL148285 0.82 MAPT (0.53) ALDH1A1MAPTHSD17B10POLBMEN1
SCHEMBL9023735 0.81 IDO1 (0.39) ALDH1A1MAPTHSD17B10POLBMEN1
Hydrochloric Acid SCHEMBL9023948 0.80 KDM4E (0.38) ALDH1A1MAPTHSD17B10POLBMEN1
Hydrochloric Acid SCHEMBL3341943 0.80 MAPT (0.52) ALDH1A1MAPTHSD17B10POLBMEN1
Hydrochloric Acid SCHEMBL10362702 0.80 MAPT (0.52) ALDH1A1MAPTHSD17B10POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP claimed
EP-0873109-A1 COLORANT FOR PRODUCING METAMERIC EFFECTS ON KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-10-28 EP claimed
WO-1998020847-A1 COLORANT FOR PRODUCING METAMERIC EFFECTS ON KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-22 WO claimed
US-5637115-A Oxidation hair dye compositions containing developers, couplers, and AZO dyes WELLA AKTIENGESELLSCHAT (DE) 1997-06-10 US claimed
EP-0485544-B1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 1996-10-16 EP claimed
EP-0687669-A1 Hair dyeing compositions and new 2-alkylamino-4-amino-1-alkylbenzenes Wella Aktiengesellschaft (DE) 1995-12-20 EP claimed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP claimed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 WO claimed