SCHEMBL4010804

SCHEMBL4010804

O=S(=O)(c1cccc(C#Cc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.63
NR1H3 Q13133 20/20 0.63
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 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
SCHEMBL4020748 0.94 NR1H2 (0.61) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012340 0.93 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012233 0.87 NR1H2 (0.78) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4018686 0.87 NR1H2 (0.76) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4010402 0.87 NR1H2 (0.77) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125215 0.84 NR1H2 (0.66) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4018320 0.84 NR1H2 (0.68) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4019139 0.84 NR1H2 (0.72) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012452 0.83 NR1H2 (0.71) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4312535 0.83 NR1H2 (0.63) 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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed