SCHEMBL13550367

SCHEMBL13550367

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 15/20 0.74
▸ PPARD Q03181 2/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.52
▸ PPARG P37231 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ AGXT P21549 1/20 0.48

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
SCHEMBL13118336 0.92 FFAR1 (0.76) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13550323 0.90 FFAR1 (0.79) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3519034 0.88 FFAR1 (0.60) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13550339 0.86 FFAR1 (0.74) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL6104254 0.86 FFAR1 (0.72) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3555589 0.86 FFAR1 (0.72) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3518826 0.85 FFAR1 (1.00) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL13140168 0.84 FFAR1 (0.79) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL14286072 0.83 FFAR1 (0.66) FFAR1PPARDPPARAMRGPRX4PPARG
SCHEMBL3520171 0.83 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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