SCHEMBL16123797

SCHEMBL16123797

COC(=O)CC1COc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.50
PPARG P37231 13/20 0.50
PPARD Q03181 13/20 0.50
PPARA Q07869 1/20 0.47

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
SCHEMBL16449097 1.00 FFAR1 (0.50) FFAR1PPARGPPARDPPARA
SCHEMBL18526217 1.00 FFAR1 (0.50) FFAR1PPARGPPARDPPARA
SCHEMBL10011429 0.90 PPARD (0.62) FFAR1PPARGPPARDPPARA
SCHEMBL2691621 0.84 PPARD (0.54) FFAR1PPARGPPARDPPARA
SCHEMBL29046597 0.83 PPARD (0.48) FFAR1PPARGPPARDPPARA
SCHEMBL29046573 0.83 PPARD (0.48) FFAR1PPARGPPARDPPARA
SCHEMBL16123779 0.82 FFAR1 (0.70) FFAR1
SCHEMBL15287408 0.79 FFAR1 (0.53) FFAR1
SCHEMBL13110373 0.78 FFAR1 (0.62) FFAR1PPARGPPARDPPARA
SCHEMBL21178299 0.78 PPARG (0.38) FFAR1PPARGPPARDPPARA

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
WO-2014146604-A1 FUSED RING COMPOUND HAVING GPR40 RECEPTOR FUNCTION REGULATING ACTION 正大天晴药业集团股份有限公司 (CN) 2014-09-25 WO disclosed