SCHEMBL8799724

SCHEMBL8799724

O=C(OC1C(=O)NC(=O)C1O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CHRNA7 P36544 2/20 0.43
LMNA P02545 2/20 0.42
F2 P00734 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL2244028 0.90 GAA (0.50) GAACHRNA7LMNAF2TDP1
SCHEMBL8965206 0.90 GAA (0.50) GAACHRNA7LMNAF2TDP1
SCHEMBL8488838 0.72 MAPT (0.42) GAACHRNA7LMNAF2TDP1
SCHEMBL8488840 0.72 MAPT (0.42) GAACHRNA7LMNAF2TDP1
SCHEMBL8488841 0.72 MAPT (0.42) GAACHRNA7LMNAF2TDP1
SCHEMBL636837 0.72 LMNA (0.48) GAACHRNA7LMNAF2TDP1
SCHEMBL637664 0.72 LMNA (0.48) GAACHRNA7LMNAF2TDP1
SCHEMBL1751897 0.72 LMNA (0.48) GAACHRNA7LMNAF2TDP1
SCHEMBL16111315 0.71 IDO1 (0.44) GAACHRNA7LMNAF2KMT2A
SCHEMBL8489867 0.71 LGALS9 (0.43) GAACHRNA7LMNAF2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed