SCHEMBL20839622

SCHEMBL20839622

O=C(O)CCc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2NC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.79
PPARD Q03181 9/20 0.72
PPARG P37231 9/20 0.61
PPARA Q07869 7/20 0.61
HSPH1 Q92598 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
IGF2BP2 Q9Y6M1 1/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
PLA2G5 P39877 1/20 0.44

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
SCHEMBL20852075 0.93 NR1H4 (0.68) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839595 0.89 NR1H4 (0.66) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839500 0.88 NR1H4 (1.00) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20852288 0.88 NR1H4 (0.61) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20852070 0.88 NR1H4 (0.75) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839624 0.85 NR1H4 (0.78) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839783 0.85 NR1H4 (0.80) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839737 0.84 NR1H4 (0.80) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839977 0.84 NR1H4 (0.77) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839687 0.84 NR1H4 (1.00) NR1H4PPARDPPARGPPARAHSPH1

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