SCHEMBL7903564

SCHEMBL7903564

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
HTR2A P28223 1/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 2/20 0.45

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
SCHEMBL7892509 0.88 GAA (0.54) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL9344653 0.85 LMNA (0.57) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL1555636 0.83 ALDH1A1 (0.59) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL7982908 0.83 HTR2A (0.52) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL9518912 0.81 ALDH1A1 (0.55) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL5765803 0.80 ALDH1A1 (0.57) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL27787118 0.80 GAA (0.60) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL11094410 0.80 ALDH1A1 (0.56) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL6141237 0.80 ALDH1A1 (0.56) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL10402699 0.80 HTR2A (0.51) ALDH1A1MAPTL3MBTL1RAB9AHTR2A

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
US-6197774-B1 THERAPY FOR ASTHMA, SKIN DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed