SCHEMBL11202124

SCHEMBL11202124

CC(C)(O)[C@H]1C(=O)N[C@H]1CC(=O)C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10730067 0.91 HTT (0.38) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL10735072 0.89 HTR2A (0.37) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL10734182 0.89 HTR2A (0.37) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL10346252 0.87 ALDH1A1 (0.34) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL9670137 0.86 ALDH1A1 (0.39) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL11197041 0.84 GAA (0.35) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL11214723 0.84 GAA (0.35) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL11214720 0.84 GAA (0.35) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL10493918 0.84 ALDH1A1 (0.37) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL10556308 0.83 HTR2A (0.39) ALDH1A1MAPTPOLBSMN1; SMN2HTT

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
EP-0074599-A1 5,6-cis-Carbapenem derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed