SCHEMBL5598036

SCHEMBL5598036

CCCOC(=O)C(=NOC)c1ccccc1CCl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.38
TSHR P16473 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5597762 0.92 TSHR (0.48) HIF1AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5597923 0.91 TSHR (0.49) HIF1AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3625149 0.89 HIF1A (0.47) HIF1AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3625146 0.89 HIF1A (0.47) HIF1AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL8203671 0.89 HIF1A (0.47) HIF1AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5597973 0.86 HIF1A (0.43) HIF1AALDH1A1GAALMNATSHR
SCHEMBL29765448 0.85 HIF1A (0.60) HIF1AALDH1A1LMNATSHR
SCHEMBL3621124 0.85 HIF1A (0.60) HIF1AALDH1A1LMNATSHR
SCHEMBL3311081 0.85 HIF1A (0.60) HIF1AALDH1A1LMNATSHR
SCHEMBL29765456 0.85 HIF1A (0.60) HIF1AALDH1A1LMNATSHR

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-0765304-B2 METHOD OF PREPARING ALPHA-METHOXYIMINOCARBOXYLIC ACID METHYLAMIDES, AND INTERMEDIATES USED IN THE METHOD BAYER CROPSCIENCE AG (DE) 2007-08-22 EP claimed