SCHEMBL5704441

SCHEMBL5704441

CCOC(=O)CCc1ccc(Oc2cc(F)cc(C(C)NC(=O)c3ccc(C(F)(F)F)cc3C)c2)cc1CC.Cc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.51
PPARG P37231 10/20 0.51
PPARD Q03181 9/20 0.51
PTGER4 P35408 4/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
PTGER2 P43116 1/20 0.34

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
SCHEMBL4614721 0.97 PPARG (0.51) PPARAPPARGPPARDPTGER4KCNQ3
SCHEMBL4615955 0.91 PPARG (0.60) PPARAPPARGPPARD
SCHEMBL14289632 0.91 PPARG (0.60) PPARAPPARGPPARD
SCHEMBL4616961 0.85 PPARG (0.51) PPARAPPARGPPARDPTGER4KCNQ3
SCHEMBL4616957 0.85 PPARG (0.51) PPARAPPARGPPARDPTGER4KCNQ3
SCHEMBL4615720 0.84 PPARG (0.58) PPARAPPARGPPARDKCNQ3KCNQ2
SCHEMBL4614455 0.84 PPARG (0.58) PPARAPPARGPPARDKCNQ3KCNQ2
SCHEMBL14520020 0.84 PPARG (0.58) PPARAPPARGPPARDKCNQ3KCNQ2
SCHEMBL4615727 0.84 PPARG (0.58) PPARAPPARGPPARDKCNQ3KCNQ2
SCHEMBL4614535 0.84 PPARG (0.61) PPARAPPARGPPARD

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