SCHEMBL5077573

SCHEMBL5077573

CC[C@]1(OC(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.75
PPARD Q03181 6/20 0.65
PPARG P37231 6/20 0.65

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
SCHEMBL5072608 0.93 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL5077559 0.91 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL5072630 0.90 PPARD (0.75) PPARAPPARDPPARG
SCHEMBL5072643 0.88 PPARA (0.76) PPARAPPARDPPARG
SCHEMBL5078430 0.88 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL5074498 0.88 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL5074799 0.87 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL5074542 0.87 PPARA (0.65) PPARAPPARDPPARG
SCHEMBL5074966 0.87 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL5078418 0.87 PPARA (0.77) PPARAPPARDPPARG

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-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP claimed