SCHEMBL5708180

SCHEMBL5708180

O=C([O-])C=Cc1ccc(O)cc1CCCl.O=C([O-])C=Cc1ccc(O)cc1CCCl.[Pd+2]

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.45
MIF P14174 1/20 0.40
APP P05067 1/20 0.39
CHRNA7 P36544 6/20 0.39
TYR P14679 2/20 0.39
ALOX5 P09917 1/20 0.37

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
SCHEMBL5708241 0.87 MIF (0.42) BACE1MIFAPPCHRNA7TYR
SCHEMBL3930354 0.86 MIF (0.55) BACE1MIFAPPCHRNA7TYR
Silver SCHEMBL11461919 0.74 CHRNA7 (0.62) BACE1CHRNA7TYRALOX5
Silver SCHEMBL11461918 0.74 CHRNA7 (0.62) BACE1CHRNA7TYRALOX5
SCHEMBL3928418 0.71 MIF (0.59) BACE1MIFAPPCHRNA7TYR
SCHEMBL8388677 0.71 NPSR1 (0.45) MIF
SCHEMBL7937596 0.69 MIF (0.53) BACE1MIFAPPTYRALOX5
SCHEMBL7937601 0.69 MIF (0.53) BACE1MIFAPPTYRALOX5
SCHEMBL9447849 0.68 MIF (0.60) BACE1MIFAPPCHRNA7TYR
SCHEMBL26046320 0.68 MIF (0.60) BACE1MIFAPPCHRNA7TYR

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 disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed