SCHEMBL8446205

SCHEMBL8446205

CON=C(C)C(C)=NOCc1ccccc1C(CO)=NOC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
HIF1A Q16665 8/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GSK3B P49841 1/20 0.30
ADRA1A P35348 2/20 0.30
MAPT P10636 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
SCHEMBL8446884 1.00 PTGS2 (0.36) PTGS2HIF1ALMNAPOLBALDH1A1
SCHEMBL8446178 0.82 PTGS2 (0.39) PTGS2HIF1ALMNAPOLBALDH1A1
SCHEMBL8446121 0.79 PTGS2 (0.37) PTGS2HIF1ALMNAPOLBALDH1A1
SCHEMBL8446120 0.79 PTGS2 (0.37) PTGS2HIF1ALMNAPOLBALDH1A1
SCHEMBL8447507 0.78 HIF1A (0.46) PTGS2HIF1ALMNAALDH1A1HTT
SCHEMBL8444517 0.78 HIF1A (0.60) PTGS2HIF1ALMNAALDH1A1HTT
SCHEMBL8447501 0.78 HIF1A (0.46) PTGS2HIF1ALMNAALDH1A1HTT
SCHEMBL8444521 0.78 HIF1A (0.60) PTGS2HIF1ALMNAALDH1A1HTT
SCHEMBL6693332 0.77 PTGS2 (0.39) PTGS2HIF1ALMNAALDH1A1HTT
SCHEMBL13148667 0.76 HIF1A (0.46) 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
EP-0893433-A1 ALPHA-ALKOXYIMINOBENZYL DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THEM AS ACTIVE INGREDIENTS SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed