SCHEMBL3877451

SCHEMBL3877451

Nc1cc([N+](=O)[O-])ccc1OCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.64
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL10896752 0.89 PTGDR2 (0.62) PTGDR2TDP1CYP3A4ALDH1A1ALOX15
SCHEMBL3480872 0.86 PTGDR2 (0.69) PTGDR2TDP1ALDH1A1MEN1KMT2A
SCHEMBL16123207 0.84 TDP1 (0.60) PTGDR2TDP1CYP3A4ALDH1A1ALOX15
SCHEMBL10788762 0.83 MEN1 (0.66) PTGDR2TDP1ALDH1A1MEN1KMT2A
SCHEMBL6573363 0.83 PTGDR2 (0.66) PTGDR2TDP1ALDH1A1MEN1KMT2A
SCHEMBL11233176 0.82 TDP1 (0.67) TDP1CYP3A4ALDH1A1ALOX15MEN1
SCHEMBL11207238 0.82 TDP1 (0.67) PTGDR2TDP1CYP3A4ALDH1A1ALOX15
SCHEMBL1025344 0.82 PTGDR2 (0.64) PTGDR2TDP1ALDH1A1MEN1KMT2A
SCHEMBL27542697 0.82 PTGDR2 (0.64) PTGDR2TDP1CYP3A4ALDH1A1KMT2A
SCHEMBL4978919 0.82 PTGDR2 (0.64) PTGDR2ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010482-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-01-07 EP disclosed
WO-2007118817-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847528-A1 Coupling compounds and hair dyeing compositions containing them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed