SCHEMBL6025918

SCHEMBL6025918

COC(=O)c1cccc(COc2cccc(Cc3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1.O=C(O)c1cccc(COc2cccc(Cc3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.62
NR1H3 Q13133 14/20 0.62
PPARG P37231 2/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.50

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
SCHEMBL1125845 0.98 NR1H2 (0.65) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126148 0.95 NR1H2 (0.66) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3848597 0.91 NR1H2 (0.65) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3848470 0.88 NR1H2 (0.64) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27765040 0.87 NR1H2 (0.55) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125411 0.86 NR1H2 (0.62) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125237 0.85 NR1H2 (0.69) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125799 0.85 NR1H2 (0.55) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126467 0.83 NR1H2 (0.60) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4257899 0.82 NR1H2 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed