SCHEMBL1126592

SCHEMBL1126592

COC(=O)Cc1ccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.68
NR1H3 Q13133 18/20 0.68
PPARG P37231 1/20 0.68
PPARD Q03181 1/20 0.68
PPARA Q07869 1/20 0.68

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
SCHEMBL1125186 0.92 NR1H2 (0.79) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL5366255 0.91 NR1H2 (0.65) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL5336135 0.91 NR1H2 (0.66) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125228 0.90 NR1H2 (0.80) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125558 0.88 NR1H2 (0.79) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125918 0.88 NR1H2 (0.82) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125261 0.88 NR1H2 (0.76) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125178 0.88 NR1H2 (0.62) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125662 0.87 NR1H2 (0.66) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125476 0.87 NR1H2 (0.68) NR1H2NR1H3PPARGPPARDPPARA

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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP claimed