SCHEMBL4012500

SCHEMBL4012500

O=C(O)CS(=O)(=O)c1ccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.75
NR1H3 Q13133 20/20 0.75
PPARG P37231 2/20 0.66
PPARD Q03181 1/20 0.66
PPARA Q07869 1/20 0.66

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
SCHEMBL4013836 0.93 NR1H2 (0.78) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4018643 0.90 NR1H2 (0.75) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012610 0.90 NR1H2 (0.88) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4015391 0.90 NR1H2 (0.72) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4013187 0.89 NR1H2 (0.73) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4011885 0.89 NR1H2 (0.72) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4011788 0.89 NR1H2 (0.72) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4013144 0.88 NR1H2 (0.77) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126008 0.88 NR1H2 (0.80) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4017012 0.88 NR1H2 (0.71) 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 claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed