SCHEMBL1125932

SCHEMBL1125932

Cc1cccc(COc2cccc(-c3c(-c4ccccc4C=O)cnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.55
NR1H3 Q13133 18/20 0.55
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
RXRA P19793 1/20 0.48

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
SCHEMBL1126171 0.92 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3852329 0.92 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126021 0.90 NR1H2 (0.55) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125570 0.89 NR1H2 (0.54) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125737 0.89 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126016 0.88 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126137 0.88 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125133 0.88 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125907 0.88 NR1H2 (0.51) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125934 0.87 NR1H2 (0.56) 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 4 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
JP-2007516258-A 2007-06-21 JP claimed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP claimed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO claimed