SCHEMBL3853853

SCHEMBL3853853

O=C(O)C(O)c1ccc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.67
NR1H3 Q13133 20/20 0.67
PPARG P37231 3/20 0.67
PPARD Q03181 1/20 0.67
PPARA Q07869 1/20 0.67

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
SCHEMBL1124999 0.89 NR1H2 (0.65) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3848816 0.86 NR1H2 (0.69) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3851959 0.86 NR1H2 (0.68) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124852 0.85 NR1H2 (0.67) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124565 0.84 NR1H2 (0.79) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4259187 0.83 NR1H2 (0.70) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126623 0.83 NR1H2 (0.77) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124760 0.83 NR1H2 (0.64) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4261618 0.82 NR1H2 (0.71) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124816 0.82 NR1H2 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US claimed