SCHEMBL8923535

SCHEMBL8923535

COC(C)OC.O=CC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
MAOA P21397 4/20 0.50
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CES1 P23141 1/20 0.47
KRAS P01116 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1B1 Q16678 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 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
SCHEMBL360287 0.85 CES1 (0.63) MAOBMAOAMAPK1ALDH1A1CES1
Water SCHEMBL836819 0.84 CES1 (0.61) MAOBMAOAMAPK1ALDH1A1MAPT
SCHEMBL10825957 0.81 MAPK1 (0.76) MAOBMAOAMAPK1ALDH1A1NPC1
Oxalic Acid SCHEMBL27286923 0.80 TDP1 (0.60) MAOBMAOAMAPK1ALDH1A1NPC1
SCHEMBL8922721 0.79 ALDH1A1 (0.52) MAOBMAOAMAPK1ALDH1A1NPC1
SCHEMBL8923089 0.78 MAPT (0.46) MAOBMAOAMAPK1ALDH1A1NPC1
SCHEMBL8923151 0.78 F3 (0.51) MAOBMAOAALDH1A1MAPTRAB9A
Phenylglyoxal SCHEMBL8924305 0.77 TDP1 (0.67) MAOBMAPK1ALDH1A1NPC1MAPT
SCHEMBL20598012 0.74 MAPK1 (0.46) MAPK1ALDH1A1NPC1MAPTRAB9A
SCHEMBL8024786 0.73 MAPK1 (0.62) MAOBMAOAMAPK1ALDH1A1CES1

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
US-5610016-A REACTING A GLYOXAL DERIVATIVE, CHEMILUMINESCENCE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-03-11 US disclosed
EP-0675360-A2 Method for measuring adenyl group containing substances using heteropoly acid MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-10-04 EP disclosed