SCHEMBL7095825

SCHEMBL7095825

CCOC(Cc1ccc(OCC=Cc2cccc(C=Cc3cccc(Br)c3)c2)cc1)C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.66
PPARG P37231 18/20 0.66
PPARD Q03181 16/20 0.66

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
SCHEMBL14539210 0.93 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL6484667 0.91 PPARA (0.77) PPARAPPARGPPARD
SCHEMBL6484669 0.91 PPARA (0.77) PPARAPPARGPPARD
SCHEMBL6484675 0.91 PPARA (0.77) PPARAPPARGPPARD
SCHEMBL6493519 0.88 PPARA (0.84) PPARAPPARGPPARD
SCHEMBL6493527 0.88 PPARA (0.84) PPARAPPARGPPARD
SCHEMBL6493516 0.88 PPARA (0.84) PPARAPPARGPPARD
SCHEMBL6493522 0.88 PPARA (0.84) PPARAPPARGPPARD
SCHEMBL6482371 0.86 PPARA (0.83) PPARAPPARGPPARD
SCHEMBL14544580 0.86 PPARA (0.83) 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
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed