SCHEMBL4012301

SCHEMBL4012301

O=S(=O)(CCCO)c1ccc(-c2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.64
NR1H3 Q13133 20/20 0.64
PPARG P37231 3/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52

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
SCHEMBL4015319 0.91 NR1H2 (0.67) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012752 0.90 NR1H2 (0.70) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4010848 0.89 NR1H2 (0.64) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4011576 0.88 NR1H2 (0.76) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4017532 0.88 NR1H2 (0.77) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012510 0.87 NR1H2 (0.66) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4013640 0.86 NR1H2 (0.65) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012854 0.85 NR1H2 (0.68) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4011463 0.84 NR1H2 (0.68) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4018005 0.81 NR1H2 (0.78) NR1H2NR1H3PPARG

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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed