SCHEMBL6256322

SCHEMBL6256322

CCCCC(Oc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 3/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
PPARA Q07869 2/20 0.43
CTRC Q99895 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6473296 0.95 GAA (0.55) GAAHPGDKMT2AL3MBTL1PPARG
SCHEMBL7508888 0.88 ALDH1A1 (0.51) GAAHPGDKMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL31748053 0.85 L3MBTL1 (0.45) GAAHPGDKMT2AL3MBTL1PPARG
SCHEMBL4653933 0.84 ALDH2 (0.42) GAAHPGDKMT2APPARGPTGES
SCHEMBL11177445 0.84 GAA (0.57) GAAHPGDKMT2AL3MBTL1PPARG
SCHEMBL11237575 0.81 CYP1A2 (0.55) GAAHPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL11520029 0.80 PPARG (0.61) PPARGPPARA
SCHEMBL4825004 0.79 L3MBTL1 (0.58) GAAHPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL27815458 0.79 ALDH1A1 (0.46) GAAHPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL30639267 0.79 CTRC (0.54) KMT2APPARGPTGESALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1579277-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS Canon Kabushiki Kaisha (JP) 2005-09-28 EP disclosed
WO-2004061530-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed