SCHEMBL5730998

SCHEMBL5730998

Cc1sc(N2CCOCC2)nc1CCOc1[c]c(CNC(=O)OC(C)C)ccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.63
PPARA Q07869 6/20 0.63
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL5730294 0.89 PPARG (0.52) PPARGPPARAGAAPOLBMEN1
SCHEMBL5730615 0.87 PPARG (0.49) PPARGPPARAGAAPOLBMEN1
SCHEMBL4896309 0.82 PPARG (0.49) PPARGPPARAGAAMEN1KMT2A
SCHEMBL5730719 0.79 PPARG (0.43) PPARGPPARAGAAMEN1KMT2A
SCHEMBL14110264 0.77 PPARG (0.89) PPARGPPARAPOLBBRD4
SCHEMBL4893539 0.77 PPARG (1.00) PPARGPPARA
SCHEMBL4894869 0.76 PPARG (0.44) PPARGPPARAGAAMEN1KMT2A
SCHEMBL5730141 0.76 PPARG (0.43) PPARGPPARAGAAMEN1KMT2A
SCHEMBL4893098 0.74 PPARG (0.83) PPARGPPARAPOLBBRD4
SCHEMBL5730171 0.74 PPARG (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed