SCHEMBL5708246

SCHEMBL5708246

Cc1cc(SCCc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)ccc1CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.41
PPARA Q07869 9/20 0.41
PPARG P37231 8/20 0.41
PARP1 P09874 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL3961112 0.92 PPARD (0.41) PPARDPPARAPPARGPARP1FFAR1
SCHEMBL3964310 0.88 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL5708221 0.85 PPARD (0.40) PPARDPPARAPPARGPARP1
SCHEMBL3965842 0.85 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL3964607 0.85 PPARD (0.41) PPARDPPARAPPARGPARP1FFAR1
SCHEMBL5708243 0.84 PPARD (0.40) PPARDPPARAPPARGPARP1FFAR1
SCHEMBL5708218 0.83 PPARD (0.39) PPARDPPARAPPARG
SCHEMBL3960614 0.83 PPARD (0.56) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL3962003 0.82 PPARD (0.43) PPARDPPARAPPARGPTGDR2
SCHEMBL3964651 0.81 PPARD (0.40) PPARDPPARAPPARGFFAR1FFAR4

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