SCHEMBL5708181

SCHEMBL5708181

CC(CSc1ccc2c(CC(=O)O)csc2c1)c1cccc2cn(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.44
PPARA Q07869 8/20 0.44
PPARG P37231 4/20 0.44
PARP1 P09874 3/20 0.35
ADORA3 P0DMS8 2/20 0.34
AKR1B1 P15121 1/20 0.33
PTGES O14684 1/20 0.33
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32

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
SCHEMBL3965601 0.90 PPARD (0.46) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL4460350 0.87 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL4460354 0.87 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL3969637 0.86 PPARA (0.49) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL5708179 0.84 PPARD (0.46) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL3962077 0.83 PPARD (0.47) PPARDPPARAPPARGPARP1ADORA3
SCHEMBL5708221 0.80 PPARD (0.40) PPARDPPARAPPARGPARP1
SCHEMBL4479616 0.79 PPARD (0.47) PPARDPPARAPPARGAKR1B1PTGES
SCHEMBL3966176 0.78 PPARA (0.51) PPARDPPARAPPARGADORA3AKR1B1
SCHEMBL13865163 0.77 PPARD (0.48) PPARDPPARAPPARG

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 4 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
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