SCHEMBL13068481

SCHEMBL13068481

O=C(O)CC1COc2cc(OCF)ccc21

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.73
PPARD Q03181 14/20 0.73
FFAR1 O14842 15/20 0.69
PPARA Q07869 2/20 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
SCHEMBL3450961 0.85 PPARG (0.80) PPARGPPARDFFAR1PPARA
SCHEMBL206775 0.84 PPARD (0.69) PPARGPPARDFFAR1PPARA
SCHEMBL3450988 0.84 PPARD (0.95) PPARGPPARDFFAR1PPARA
SCHEMBL3450733 0.84 PPARD (1.00) PPARGPPARDFFAR1PPARA
SCHEMBL10011429 0.81 PPARD (0.62) PPARGPPARDFFAR1PPARA
SCHEMBL15211310 0.81 PPARD (0.64) PPARGPPARDFFAR1PPARA
SCHEMBL3450581 0.80 PPARG (0.77) PPARGPPARDFFAR1PPARA
SCHEMBL31674239 0.79 PPARD (0.59) PPARGPPARDFFAR1PPARA
SCHEMBL13126358 0.79 PPARG (0.84) PPARGPPARDFFAR1PPARA
SCHEMBL3451756 0.79 PPARG (0.78) PPARGPPARDFFAR1PPARA

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-2248812-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2010-11-10 EP disclosed