SCHEMBL20852259

SCHEMBL20852259

O=C(O)CCc1cccc(NC(=O)c2ccccc2NC(=O)C2=CC=C(c3ccon3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.54
PPARD Q03181 10/20 0.54
PPARG P37231 8/20 0.54
PPARA Q07869 8/20 0.54
HSPH1 Q92598 1/20 0.44
SIRT1 Q96EB6 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
RXFP1 Q9HBX9 4/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
RXFP2 Q8WXD0 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
SCHEMBL20839937 0.82 NR1H4 (0.71) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839777 0.73 NR1H4 (0.56) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20852275 0.73 NR1H4 (0.71) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839742 0.72 NR1H4 (0.57) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20852079 0.71 NR1H4 (0.81) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839984 0.71 NR1H4 (0.55) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839719 0.70 NR1H4 (0.54) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839783 0.70 NR1H4 (0.80) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839711 0.69 NR1H4 (0.74) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL5718041 0.68 ALOX15 (0.72) NR1H4PPARDPPARGPPARASIRT1

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-2019057969-A1 DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES Johann Wolfgang Goethe-Universität (DE) 2019-03-28 WO disclosed