SCHEMBL5724902

SCHEMBL5724902

NN(C(=O)CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
FFAR1 O14842 1/20 0.38
PTGDR Q13258 1/20 0.38
HTT P42858 1/20 0.38
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.36
NR3C2 P08235 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL8242543 0.85 HTT (0.42) PTGIRPTGDRHTTFOLH1ALDH1A1
SCHEMBL6238882 0.81 OGG1 (0.41) ALDH1A1MAPT
SCHEMBL6241857 0.81 KEAP1 (0.42) PTGIRFFAR1HTTALDH1A1
SCHEMBL13468865 0.80 FOLH1 (0.42) FFAR1HTTFOLH1ALDH1A1MAPT
SCHEMBL6239956 0.79 HTT (0.42) HTTMAPT
SCHEMBL1266868 0.78 CES2 (0.41) ALDH1A1NR3C2
SCHEMBL107191 0.78 FOLH1 (0.52) HTTFOLH1ALDH1A1MAPT
SCHEMBL29523626 0.76 POLQ (0.37)
SCHEMBL29524046 0.76 AOC3 (0.35)
SCHEMBL12647681 0.75 HPGD (0.45) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO disclosed