SCHEMBL20852288

SCHEMBL20852288

O=C(O)CCCc1cccc(NC(=O)c2cc(OC(F)(F)F)ccc2NC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.61
PPARD Q03181 8/20 0.58
PPARG P37231 8/20 0.58
PPARA Q07869 6/20 0.58
HSPH1 Q92598 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
IGF2BP2 Q9Y6M1 1/20 0.49
CYSLTR1 Q9Y271 2/20 0.49

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 0.95 NR1H4 (0.68) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839622 0.88 NR1H4 (0.79) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839666 0.83 NR1H4 (0.86) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839645 0.81 NR1H4 (0.73) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839783 0.80 NR1H4 (0.80) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839667 0.79 HSPH1 (0.73) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839781 0.79 NR1H4 (0.71) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839595 0.79 NR1H4 (0.66) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20852070 0.77 NR1H4 (0.75) NR1H4PPARDPPARGPPARAHSPH1
SCHEMBL20839624 0.77 NR1H4 (0.78) 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 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