SCHEMBL5072608

SCHEMBL5072608

CCC1(OC(=O)O)Cc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.75
PPARG P37231 12/20 0.75
PPARD Q03181 6/20 0.75

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
SCHEMBL5077573 0.93 PPARA (0.75) PPARAPPARGPPARD
SCHEMBL4557472 0.86 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL5077559 0.84 PPARA (0.75) PPARAPPARGPPARD
SCHEMBL5072630 0.83 PPARD (0.75) PPARAPPARGPPARD
SCHEMBL5072643 0.81 PPARA (0.76) PPARAPPARGPPARD
SCHEMBL5078430 0.81 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6797366 0.81 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL5074498 0.81 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL5074799 0.81 PPARA (0.77) PPARAPPARGPPARD
SCHEMBL5074542 0.80 PPARA (0.65) 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
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