SCHEMBL5730294

SCHEMBL5730294

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.52
PPARA Q07869 5/20 0.52
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.36
AR P10275 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL5730998 0.89 PPARG (0.63) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL4896309 0.81 PPARG (0.49) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL5730615 0.80 PPARG (0.49) PPARGPPARAMEN1KMT2AGAA
SCHEMBL4896162 0.78 PPARG (0.81) PPARGPPARA
SCHEMBL5730719 0.76 PPARG (0.43) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL4894869 0.75 PPARG (0.44) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL5730141 0.75 PPARG (0.43) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL5729663 0.75 PPARG (0.51) PPARGPPARA
SCHEMBL5351329 0.73 PPARG (0.43) PPARGPPARAMEN1KMT2AGAA
SCHEMBL5731134 0.73 PPARG (0.48) 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