SCHEMBL14396129

SCHEMBL14396129

CON=C(C=O)c1ccccc1CO/N=C(C)/C(=N/OC)C(/C)=N/OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
HIF1A Q16665 8/20 0.34
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8446120 0.94 PTGS2 (0.37) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL8446121 0.94 PTGS2 (0.37) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL8163429 0.79 HIF1A (0.57) PTGS2HIF1ALMNAALDH1A1
SCHEMBL8163432 0.78 PTGS2 (0.52) PTGS2HIF1ALMNAALDH1A1MEN1
SCHEMBL14175285 0.77 HIF1A (0.44) PTGS2HIF1ALMNAALDH1A1
SCHEMBL351140 0.77 HIF1A (0.44) PTGS2HIF1ALMNAALDH1A1
SCHEMBL3163678 0.77 HIF1A (0.44) PTGS2HIF1ALMNAALDH1A1
SCHEMBL5972018 0.77 HIF1A (0.44) PTGS2HIF1ALMNAALDH1A1
SCHEMBL12704666 0.77 HIF1A (0.44) PTGS2HIF1ALMNAALDH1A1
SCHEMBL5076534 0.77 HIF1A (0.44) PTGS2HIF1ALMNAALDH1A1

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
WO-2007113170-A1 USE OF STROBILURINS FOR TREATING MALFUNCTIONS OF THE IRON METABOLISM BASF SE (DE) 2007-10-11 WO disclosed