SCHEMBL5344843

SCHEMBL5344843

Cc1oc(-c2ccc(N3CCCCC3)cc2)nc1CCOc1[c]c(C(N)C(=O)OC(C)C)ccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.43
PPARA Q07869 10/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 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
SCHEMBL4892245 0.94 PPARG (0.44) PPARGPPARAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5359040 0.87 PPARG (0.52) PPARGPPARA
SCHEMBL5358052 0.86 PPARG (0.49) PPARGPPARA
SCHEMBL5353221 0.84 PPARG (0.52) PPARGPPARA
SCHEMBL5354968 0.83 PPARG (0.47) PPARGPPARA
SCHEMBL5351106 0.82 PPARG (0.40) PPARGPPARA
SCHEMBL5354283 0.79 PPARG (0.45) PPARGPPARA
SCHEMBL5366174 0.78 PPARG (0.50) PPARGPPARA
SCHEMBL5359236 0.77 PPARG (0.40) PPARGPPARA
SCHEMBL5355221 0.77 PPARG (0.42) 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
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US claimed