SCHEMBL5217052

SCHEMBL5217052

CCc1nc(-c2ccc(C(F)(F)F)cc2)oc1CCSc1ccc(CC(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.52
PPARA Q07869 12/20 0.52
PPARG P37231 10/20 0.52
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5218966 0.86 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL5217039 0.81 PPARA (0.46) PPARDPPARAPPARGRXRARXRB
SCHEMBL5217047 0.81 PPARA (0.46) PPARDPPARAPPARGRXRARXRB
SCHEMBL4680724 0.77 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL6224733 0.77 PPARD (0.52) PPARDPPARAPPARGMAPT
SCHEMBL6613722 0.77 PPARG (0.74) PPARDPPARAPPARG
SCHEMBL4676727 0.74 PPARG (0.67) PPARDPPARAPPARG
SCHEMBL6219486 0.73 PPARA (0.47) PPARDPPARAPPARG
SCHEMBL4475618 0.73 PPARD (0.45) PPARDPPARAPPARGMAPT
SCHEMBL6616535 0.73 PPARD (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed