SCHEMBL5704444

SCHEMBL5704444

CCc1cc(Oc2cc(F)cc(CCNC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)ccc1CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.53
PPARG P37231 14/20 0.53
PPARD Q03181 12/20 0.53
ESRRG P62508 1/20 0.43
RXRA P19793 1/20 0.38
NR1H2 P55055 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL5704460 0.93 PPARA (0.54) PPARAPPARGPPARDESRRG
SCHEMBL5704451 0.93 PPARA (0.62) PPARAPPARGPPARDESRRG
SCHEMBL5704416 0.91 PPARG (0.52) PPARAPPARGPPARDESRRG
SCHEMBL5704473 0.86 PPARG (0.71) PPARAPPARGPPARD
SCHEMBL5704472 0.85 PPARG (0.63) PPARAPPARGPPARDESRRG
SCHEMBL4616672 0.85 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL4616239 0.85 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL4614455 0.84 PPARG (0.58) PPARAPPARGPPARD
SCHEMBL14520020 0.84 PPARG (0.58) PPARAPPARGPPARD
SCHEMBL5704443 0.83 PPARA (0.51) PPARAPPARGPPARDESRRG

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-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed