SCHEMBL6943834

SCHEMBL6943834

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MAPT P10636 1/20 0.62
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR1D1 P20393 1/20 0.46
RAB9A P51151 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HTT P42858 1/20 0.44
HTR2A P28223 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
SCHEMBL9728624 0.88 ALDH1A1 (0.59) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL5723865 0.87 ALDH1A1 (0.65) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL14128576 0.85 CHRM2 (0.49) ALDH1A1MAPTGAANR1D1CA1
SCHEMBL6046662 0.85 ALDH1A1 (0.54) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL3176366 0.85 ALDH1A1 (0.49) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL6302909 0.83 KMT2A (0.52) ALDH1A1MAPTNR1D1RAB9ACA1
SCHEMBL2141676 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL6046651 0.80 ALDH1A1 (0.53) ALDH1A1MAPTGAAMAPK1RAB9A
Hydrochloric Acid SCHEMBL5724170 0.80 ALDH1A1 (0.62) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL9044759 0.80 ALDH1A1 (0.52) ALDH1A1MAPTGAAL3MBTL1RAB9A

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-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 EP disclosed