SCHEMBL1125232

SCHEMBL1125232

CC(OCc1ccc(COc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.54
NR1H3 Q13133 19/20 0.54
RXRA P19793 1/20 0.52
PPARG P37231 2/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL1125396 0.95 NR1H2 (0.54) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1124749 0.92 NR1H2 (0.54) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1124939 0.89 NR1H2 (0.54) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125243 0.87 NR1H2 (0.69) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125227 0.87 NR1H2 (0.66) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125236 0.85 NR1H2 (0.57) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125070 0.85 NR1H2 (0.57) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125144 0.85 NR1H2 (0.57) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1126178 0.84 NR1H2 (0.61) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125391 0.83 NR1H2 (0.66) NR1H2NR1H3RXRAPPARGPPARD

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