SCHEMBL2045312

SCHEMBL2045312

CC(O)Nc1ccc(NC(C)O)c([N+](=O)[O-])c1NC(C)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2033441 0.86 HCAR3 (0.37) HCAR3LMNAALDH1A1MAPTHTT
SCHEMBL15019998 0.85 RAB9A (0.46) ALDH1A1MAPTTDP1SMN1; SMN2HTT
SCHEMBL1815585 0.79 RAB9A (0.49) ALDH1A1MAPTTDP1SMN1; SMN2HTT
SCHEMBL5912889 0.79 RAB9A (0.49) ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL18037665 0.77 GPR35 (0.50) LMNAALDH1A1MAPTTDP1MAPK1
SCHEMBL125385 0.77 ALDH1A1 (0.56) LMNAALDH1A1MAPTTDP1CRHBP
SCHEMBL210588 0.76 RAB9A (0.43) HCAR3LMNAALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL4863916 0.75 RAB9A (0.43) LMNAALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL10623128 0.74 MAPT (0.38) HCAR3LMNAALDH1A1MAPTTDP1
SCHEMBL14118361 0.73 RAB9A (0.43) HCAR3LMNAALDH1A1MAPTTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579842-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'Oréal (FR) 2013-04-17 EP 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
EP-2575754-A2 COSMETIC TREATMENT PROCESS USING A COATING BASED ON A COPOLYMER CONTAINING POLYAMIDE BLOCKS AND POLYETHER BLOCKS L'Oréal (FR) 2013-04-10 EP disclosed
EP-2516013-A1 AGENT IN TWO OR MORE PARTS, IN EMULSION FORM, FOR DYEING AND/OR BLEACHING KERATIN FIBRES L'Oréal (FR) 2012-10-31 EP disclosed
WO-2011154460-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2011-12-15 WO 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
WO-2011076665-A1 AGENT IN TWO OR MORE PARTS, IN EMULSION FORM, FOR DYEING AND/OR BLEACHING KERATIN FIBRES L'OREAL (FR) 2011-06-30 WO disclosed
EP-1594450-A2 COSMETIC COMPOSITION COMPRISING A HYDROGELLING IONIC AMIDE AND A DYE L'OREAL (FR) 2005-11-16 EP disclosed
WO-2004068997-A2 COSMETIC COMPOSITION COMPRISING A HYDROGELLING IONIC AMIDE AND A DYE L'OREAL (FR) 2004-08-19 WO disclosed