SCHEMBL1124660

SCHEMBL1124660

CCC(C(=O)O)c1cccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(Cl)cccc34)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.70
NR1H3 Q13133 20/20 0.70
PPARG P37231 2/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55

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
SCHEMBL1124758 0.89 NR1H2 (0.80) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27654085 0.87 NR1H2 (0.67) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124593 0.85 NR1H2 (0.88) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27673941 0.84 NR1H2 (0.72) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27654056 0.82 NR1H2 (0.81) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124862 0.82 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27654081 0.82 NR1H2 (0.69) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27673876 0.81 NR1H2 (0.79) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124817 0.79 NR1H2 (0.75) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125172 0.78 NR1H2 (0.87) 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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed