SCHEMBL4414880

SCHEMBL4414880

Nc1ccc2c(c1)OCC2CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.59
PPARD Q03181 13/20 0.59
FFAR1 O14842 16/20 0.55
PPARA Q07869 1/20 0.54

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
SCHEMBL10011520 1.00 PPARG (0.59) PPARGPPARDFFAR1PPARA
SCHEMBL3003128 0.83 PPARG (0.60) PPARGPPARDFFAR1PPARA
SCHEMBL9979637 0.83 PPARG (0.60) PPARGPPARDFFAR1PPARA
SCHEMBL204645 0.83 PPARG (0.60) PPARGPPARDFFAR1PPARA
SCHEMBL13311839 0.83 FFAR1 (0.46) PPARGPPARDFFAR1PPARA
SCHEMBL8581165 0.82 MAOB (0.43) PPARGPPARDFFAR1PPARA
SCHEMBL15292428 0.82 FFAR1 (0.69) PPARGPPARDFFAR1PPARA
SCHEMBL15299338 0.82 FFAR1 (0.69) PPARGPPARDFFAR1PPARA
SCHEMBL31674239 0.82 PPARD (0.59) PPARGPPARDFFAR1PPARA
SCHEMBL16188898 0.81 PPARG (0.57) 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-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed