SCHEMBL6662495

SCHEMBL6662495

CC(C)OC(=O)NCc1cc(O)ccc1CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.42
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 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
SCHEMBL27589635 0.94 PPARG (0.47) PPARGPPARAPOLBHSP90AA1CA12
SCHEMBL4884408 0.89 PPARG (0.43) PPARGPPARAHSP90AA1CA12CA1
SCHEMBL3692384 0.84 PPARG (0.41) PPARGPPARAHSP90AA1CA12CA1
SCHEMBL27589796 0.82 NQO2 (0.39) PPARGPPARAPOLBHSP90AA1CA12
SCHEMBL4893266 0.80 NQO2 (0.39) PPARGPPARAHSP90AA1CA12CA1
SCHEMBL4885651 0.78 PPARG (0.73) PPARGPPARA
SCHEMBL4892226 0.78 NQO2 (0.39) HSP90AA1CA12CA1CA2CA7
SCHEMBL4896415 0.77 PPARG (0.72) PPARGPPARA
SCHEMBL4893870 0.77 PPARG (0.70) PPARGPPARA
SCHEMBL4888126 0.76 PPARG (0.68) PPARGPPARA

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-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed