SCHEMBL2234344

SCHEMBL2234344

CC(C)(C(=O)O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
MAOB P27338 1/20 0.51
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
IDO1 P14902 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL9976430 0.86 ALDH1A1 (0.55) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL11540661 0.85 ALDH1A1 (0.54) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL10465087 0.85 ALDH1A1 (0.54) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL8940536 0.83 MAOB (0.49) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL10545639 0.81 IDO1 (0.55) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL8572371 0.81 IDO1 (0.51) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL8672147 0.81 RAB9A (0.48) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL8940532 0.81 MAOB (0.52) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL8533970 0.80 IDO1 (0.53) HTR2AALDH1A1MAPTMAOBHTT
SCHEMBL17923107 0.80 ALDH1A1 (0.50) HTR2AALDH1A1MAPTMAOBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011098611-A2 ALPHA-EMITTING COMPLEXES ALGETA AS (NO) 2011-08-18 WO disclosed