SCHEMBL5708209

SCHEMBL5708209

CC(C)(Oc1ccc(OCCc2cccc3cn(-c4cccc(C(F)(F)F)c4)nc23)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.46
PPARD Q03181 10/20 0.46
PPARG P37231 14/20 0.42
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL5708251 0.92 PPARD (0.46) PPARAPPARDPPARG
SCHEMBL3965838 0.91 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL3969652 0.84 PPARD (0.51) PPARAPPARDPPARG
SCHEMBL3964471 0.82 PPARD (0.52) PPARAPPARDPPARG
SCHEMBL3961082 0.80 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL5708202 0.79 PARP1 (0.40) PPARAPPARDPPARGADORA3
SCHEMBL3960605 0.77 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL3960962 0.75 PPARD (0.56) PPARAPPARDPPARG
SCHEMBL6034478 0.75 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5708226 0.74 PPARA (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed