SCHEMBL16448786

SCHEMBL16448786

O=COC[C@@H]1COc2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.42
PPARG P37231 10/20 0.42
PPARD Q03181 10/20 0.42
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PPARA Q07869 1/20 0.39
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL28073790 1.00 FFAR1 (0.42) FFAR1PPARGPPARDCYP3A4MAOA
SCHEMBL29288527 0.79 TMEM97 (0.41) FFAR1PPARGPPARDCYP3A4MAOA
SCHEMBL9979676 0.78 CYP3A4 (0.40) FFAR1PPARGPPARDCYP3A4MAOA
SCHEMBL204645 0.78 PPARG (0.60) FFAR1PPARGPPARDPPARA
SCHEMBL9979637 0.78 PPARG (0.60) FFAR1PPARGPPARDPPARA
SCHEMBL3003128 0.78 PPARG (0.60) FFAR1PPARGPPARDPPARA
SCHEMBL13524014 0.77 PPARG (0.46) FFAR1PPARGPPARDCYP3A4MAOA
SCHEMBL435248 0.76 FFAR1 (0.53) FFAR1PPARGPPARDPPARA
SCHEMBL9277990 0.76 FFAR1 (0.53) FFAR1PPARGPPARDPPARA
SCHEMBL15791414 0.76 PPARG (0.46) FFAR1PPARGPPARDCYP3A4MAOA

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-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 US disclosed