SCHEMBL5217047

SCHEMBL5217047

CCc1nc(-c2ccc(C(F)(F)F)cc2)oc1[C@@H](C)Sc1ccc(CC(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.46
PPARG P37231 8/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PPARD Q03181 14/20 0.44
PTPN1 P18031 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL5217039 1.00 PPARA (0.46) PPARAPPARGRXRARXRBRXRG
SCHEMBL5215875 0.85 PPARD (0.63) PPARAPPARGPPARD
SCHEMBL5218962 0.85 PPARD (0.63) PPARAPPARGPPARD
SCHEMBL5221374 0.85 PPARD (0.63) PPARAPPARGPPARD
SCHEMBL5217052 0.81 PPARD (0.52) PPARAPPARGRXRARXRBRXRG
SCHEMBL4468965 0.77 PPARD (0.53) PPARAPPARGPPARDTP53MAPT
SCHEMBL5850797 0.76 PPARD (0.45) PPARAPPARGRXRARXRBRXRG
SCHEMBL5218580 0.75 PPARA (0.61) PPARAPPARGPPARDPTPN1
SCHEMBL5219166 0.75 PPARD (0.54) PPARAPPARGRXRARXRBRXRG
SCHEMBL14432285 0.75 PPARD (0.54) PPARAPPARGRXRARXRBRXRG

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