SCHEMBL13550339

SCHEMBL13550339

COC(=O)C(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 16/20 0.74
▸ PPARD Q03181 2/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.52
▸ PPARG P37231 1/20 0.51
▸ RXRA P19793 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ NR1H3 Q13133 1/20 0.49

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
SCHEMBL13550323 0.90 FFAR1 (0.79) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3520902 0.89 FFAR1 (0.61) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13118336 0.88 FFAR1 (0.76) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL6104254 0.88 FFAR1 (0.72) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3555589 0.88 FFAR1 (0.72) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13318210 0.86 FFAR1 (0.68) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL12020986 0.86 FFAR1 (0.68) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13550367 0.86 FFAR1 (0.74) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13140168 0.86 FFAR1 (0.79) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3520171 0.85 FFAR1 (0.69) FFAR1PPARDPPARAMRGPRX4PPARG

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-7649110-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-01-19 — — US disclosed
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