SCHEMBL13645009

SCHEMBL13645009

COc1ccc(N(CC(=O)O)CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.50
NFE2L2 Q16236 5/20 0.50
PPARG P37231 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
RNF4 P78317 1/20 0.43

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
SCHEMBL13645022 0.91 CA1 (0.45) KEAP1NFE2L2PPARGCA1CA2
SCHEMBL13603876 0.87 ALDH1A1 (0.54) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13603920 0.83 ALDH1A1 (0.59) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL340292 0.83 KEAP1 (0.59) KEAP1NFE2L2CA1CA2RAB9A
SCHEMBL13681074 0.83 NR3C1 (0.51) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13644958 0.82 KEAP1 (0.51) KEAP1NFE2L2PPARGALDH1A1L3MBTL1
SCHEMBL13603924 0.82 ALDH1A1 (0.51) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL6560868 0.82 NR3C1 (0.56) KEAP1NFE2L2ALDH1A1MAPK1RAB9A
SCHEMBL13603842 0.82 KEAP1 (0.52) KEAP1NFE2L2PPARGCA1CA2
SCHEMBL16174068 0.81 PPARG (0.52) KEAP1NFE2L2PPARGALDH1A1L3MBTL1

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
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed