SCHEMBL5052133

SCHEMBL5052133

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC(O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
MAPT P10636 14/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
PKM P14618 3/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 2/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 7/20 0.59
HTT P42858 5/20 0.58
THRB P10828 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL29392652 0.85 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL112411 0.85 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11199799 0.83 MAPT (0.68) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5704002 0.82 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11197746 0.82 GAA (0.67) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL116088 0.82 GAA (0.70) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5697243 0.82 KMT2A (0.60) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8612145 0.82 MAPT (0.63) GAAMAPTKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8114256 0.81 GAA (0.65) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL108993 0.81 KMT2A (0.62) GAAMAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543400-A1 METHOD FOR THE TREATMENT OF KERATIN FIBRES COMPRISING A PRETREATMENT OR POST-TREATMENT STEP L'OREAL (FR) 2025-04-30 EP disclosed
EP-4543402-A1 PROCESS FOR TREATING KERATIN FIBRES USING A CARNITINE SALT OR A CARNITINE DERIVATIVE L'OREAL (FR) 2025-04-30 EP disclosed
EP-4452203-A1 PROCESS FOR DYEING KERATIN FIBRES USING A COSMETIC COMPOSITION COMPRISING PROPANE-1,3-DIOL AND A DYEING COMPOSITION L'OREAL (FR) 2024-10-30 EP disclosed
EP-4422586-A1 PROCESS FOR DYEING AND/OR LIGHTENING KERATIN FIBERS L'OREAL (FR) 2024-09-04 EP disclosed
EP-4415682-A1 METHOD FOR DYEING KERATIN FIBRES STARTING FROM ISATIN AND FROM POWDER AND/OR DYE EXTRACT OF INDIGO-PRODUCING PLANTS L'OREAL (FR) 2024-08-21 EP disclosed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362897-A1 COMPOSITION COMPRISING AT LEAST NONIONIC SURFACTANT, 1,3-PROPANEDIOL, AT LEAST ONE FATTY SUBSTANCE, AT LEAST ONE COLOURING AGENT L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362893-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, N,N-DICARBOXYMETHYLGLUTAMIC ACID, PROPANE-1,3-DIOL, AT LEAST ONE FATTY SUBSTANCE OTHER THAN FATTY ACIDS, AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
CN-117425466-A Cosmetic composition comprising at least one alkyl (poly) glycoside, N-dicarboxymethyl glutamic acid, propane-1, 3-diol, at least one fatty substance other than fatty acid, at least one dye 欧莱雅 2024-01-19 CN disclosed
WO-2023247612-A1 PROCESS FOR TREATING KERATIN FIBRES USING A CARNITINE SALT OR A CARNITINE DERIVATIVE L'OREAL (FR) 2023-12-28 WO disclosed
WO-2023275187-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2023-01-05 WO disclosed
WO-2023275170-A1 COMPOSITION COMPRISING AT LEAST ONE ALKANOLAMINE, A (META)SILICATE, GLYCINE AND 1,3-PROPANEDIOL L'OREAL (FR) 2023-01-05 WO disclosed
WO-2023275208-A1 COMPOSITION COMPRISING AT LEAST NONIONIC SURFACTANT, 1,3-PROPANEDIOL, AT LEAST ONE FATTY SUBSTANCE, AT LEAST ONE COLOURING AGENT L'OREAL (FR) 2023-01-05 WO disclosed
CN-110035739-B Dye composition comprising 12-hydroxystearic acid, an organic amine and a dye 欧莱雅 2022-05-10 CN disclosed
CN-114340738-A Dyeing composition 莱雅公司 2022-04-12 CN disclosed
WO-2019234193-A1 PROCESS FOR DYEING AND/OR LIGHTENING KERATIN MATERIALS L'OREAL (FR) 2019-12-12 WO disclosed
EP-2579841-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'Oréal (FR) 2013-04-17 EP disclosed
WO-2011154458-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2011-12-15 WO disclosed
EP-1877032-A2 INVERT EMULSION COMPRISING AN AQUEOUS SOLUTION OF HYDROGEN PEROXIDE AND AN INERT PHASE WITH WATER SOLUBILITY OF LESS THAN 1 % L'Oréal (FR) 2008-01-16 EP disclosed
WO-2006117469-A2 INVERT EMULSION COMPRISING AN AQUEOUS SOLUTION OF HYDROGEN PEROXIDE AND AN INERT PHASE WITH WATER SOLUBILITY OF LESS THAN 1 % L'ORÉAL (FR) 2006-11-09 WO disclosed