SCHEMBL5989258

SCHEMBL5989258

CCOC(=O)CCc1ccc(OCCC(C)OS(C)(=O)=O)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.46
PPARD Q03181 16/20 0.46
PPARA Q07869 14/20 0.46
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL5989678 1.00 PPARG (0.46) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL5989253 1.00 PPARG (0.46) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL5989396 0.84 CYP4F2 (0.46) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL5989400 0.84 CYP4F2 (0.46) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL5988687 0.82 CYP4F2 (0.40) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL5988683 0.82 CYP4F2 (0.40) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL5989885 0.82 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5989694 0.82 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5991703 0.82 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5989592 0.80 CYP4F2 (0.41) PPARGPPARDPPARACYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed