SCHEMBL6817082

SCHEMBL6817082

O=C(O)C[C@@H]1CCc2cc(OCCc3c(-c4ccccc4)n[nH]c3C(F)(F)F)c(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.44
PPARG P37231 14/20 0.44
PPARD Q03181 6/20 0.42

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
SCHEMBL6919905 0.86 PPARD (0.59) PPARAPPARGPPARD
SCHEMBL6816306 0.82 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL6817083 0.75 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL12214613 0.64 PPARD (0.65) PPARAPPARGPPARD
SCHEMBL4680682 0.61 PPARG (0.82) PPARAPPARG
SCHEMBL3023167 0.60 PPARD (0.66) PPARAPPARGPPARD
SCHEMBL1400658 0.60 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL1400449 0.60 PPARD (1.00) PPARAPPARD
SCHEMBL3970700 0.60 HTR2A (0.55) PPARAPPARGPPARD
SCHEMBL3967932 0.60 HTR2A (0.55) PPARAPPARGPPARD

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-2004011446-A1 INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2004-02-05 WO disclosed