SCHEMBL5729979

SCHEMBL5729979

Cc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1[c]c(CNCC(=O)OC(C)C)ccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.45
PPARA Q07869 16/20 0.45
MAPT P10636 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36

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
SCHEMBL5729663 0.81 PPARG (0.51) PPARGPPARA
SCHEMBL5731134 0.80 PPARG (0.48) PPARGPPARA
SCHEMBL5730294 0.79 PPARG (0.52) PPARGPPARAMAPT
SCHEMBL4895127 0.78 PPARG (0.57) PPARGPPARA
SCHEMBL6633220 0.77 PPARG (0.44) PPARGPPARARARARARBRARG
SCHEMBL4893594 0.76 PPARG (0.56) PPARGPPARA
SCHEMBL5729457 0.76 PPARG (0.46) PPARGPPARA
SCHEMBL5729994 0.74 PPARG (0.50) PPARGPPARA
SCHEMBL5731023 0.73 ADORA2A (0.37) PPARGPPARA
SCHEMBL4896410 0.72 PPARG (0.38) PPARGPPARAMAPTRARARARB

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