SCHEMBL7905669

SCHEMBL7905669

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 1/20 0.46

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
SCHEMBL1555636 0.88 ALDH1A1 (0.59) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL27787118 0.85 GAA (0.60) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL9344653 0.84 LMNA (0.57) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL10801173 0.84 HTR2A (0.67) HTR2AALDH1A1MAPTL3MBTL1RAB9A
Malonic Acid SCHEMBL8982152 0.82 ALDH1A1 (0.54) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL5765803 0.82 ALDH1A1 (0.57) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL7982908 0.82 HTR2A (0.52) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL11094410 0.82 ALDH1A1 (0.56) HTR2AALDH1A1MAPTGAAMAPK1
SCHEMBL9824533 0.81 ALDH1A1 (0.48) ALDH1A1MAPTGAAMAPK1RAB9A
SCHEMBL1554845 0.81 ALDH1A1 (0.55) HTR2AALDH1A1MAPTGAAMAPK1

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
US-6204277-B1 TREATING DIABETES JAPAN TOBACCO INC. (JP) 2001-03-20 US disclosed
CN-1233241-A Propionic acid derivatives and uses thereof JAPAN TOBACCO INC (JP) 1999-10-27 CN disclosed
EP-0930299-A1 PROPIONIC ACID DERIVATIVES AND APPLICATIONS THEREOF Japan Tobacco Inc. (JP) 1999-07-21 EP disclosed