SCHEMBL5708241

SCHEMBL5708241

O=C([O-])C=Cc1ccc(O)cc1CCF.O=C([O-])C=Cc1ccc(O)cc1CCF.[Pd+2]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
BACE1 P56817 6/20 0.41
CHRNA7 P36544 7/20 0.39
APP P05067 1/20 0.38
TYR P14679 2/20 0.38
ALOX5 P09917 1/20 0.36

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
SCHEMBL5708180 0.87 BACE1 (0.45) MIFBACE1CHRNA7APPTYR
SCHEMBL3928418 0.85 MIF (0.59) MIFBACE1CHRNA7APPTYR
SCHEMBL3930354 0.73 MIF (0.55) MIFBACE1CHRNA7APPTYR
Silver SCHEMBL11461918 0.73 CHRNA7 (0.62) BACE1CHRNA7TYRALOX5
Silver SCHEMBL11461919 0.73 CHRNA7 (0.62) BACE1CHRNA7TYRALOX5
SCHEMBL7937601 0.68 MIF (0.53) MIFBACE1APPTYRALOX5
SCHEMBL7937596 0.68 MIF (0.53) MIFBACE1APPTYRALOX5
SCHEMBL9447849 0.67 MIF (0.60) MIFBACE1CHRNA7APPTYR
SCHEMBL26046320 0.67 MIF (0.60) MIFBACE1CHRNA7APPTYR
SCHEMBL10350184 0.67 MIF (0.60) MIFBACE1CHRNA7APPTYR

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 6 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 disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed