SCHEMBL109574

SCHEMBL109574

O=[N+]([O-])c1cc(OCC(O)CO)ccc1NCCO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 2/20 0.46
MAPT P10636 9/20 0.44
RAB9A P51151 4/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.41
HCAR3 P49019 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
PRSS1 P07477 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GALR3 O60755 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL29392841 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL11048795 0.90 TDP1 (0.45) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8948327 0.90 ALDH1A1 (0.53) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9651427 0.88 ALDH1A1 (0.51) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL2473470 0.83 TSHR (0.60) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL3819214 0.83 HCAR3 (0.45) TSHRPKMMAPTRAB9AGAA
SCHEMBL9269272 0.82 TSHR (0.48) ALDH1A1TSHRMAPTRAB9AGAA
SCHEMBL2840702 0.80 TDP1 (0.52) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9233915 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL1009970 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTDP1PKMMAPT

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 1038 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed
US-7799092-B2 Composition for simultaneously bleaching and dyeing keratin fibers, comprising at least one anionic or nonionic direct dye and at least one associative polymer L'OREAL S.A. (FR) 2010-09-21 US claimed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 US claimed
EP-1738800-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2010-06-09 EP claimed
EP-1738801-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2010-06-09 EP claimed
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
EP-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 EP claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 EP claimed
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US claimed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 EP claimed
EP-0673926-B1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres OREAL (FR) 1997-04-09 EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 US claimed
EP-0673926-A1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres L'OREAL (FR) 1995-09-27 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed