SCHEMBL5208392

SCHEMBL5208392

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.55
PPARG P37231 17/20 0.55
PTPN1 P18031 1/20 0.44

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
SCHEMBL5209719 0.93 PPARG (0.47) PPARAPPARGPTPN1
SCHEMBL2521659 0.91 PPARG (0.57) PPARAPPARG
SCHEMBL2521661 0.91 PPARG (0.57) PPARAPPARG
SCHEMBL5211136 0.91 PPARG (0.56) PPARAPPARG
SCHEMBL5211867 0.88 PPARG (0.48) PPARAPPARGPTPN1
SCHEMBL5210445 0.86 PPARA (0.48) PPARAPPARG
SCHEMBL5206559 0.86 MAPT (0.46) PPARAPPARG
SCHEMBL5205909 0.86 PPARA (0.49) PPARAPPARG
SCHEMBL5210810 0.86 PPARG (0.57) PPARAPPARG
SCHEMBL2518481 0.84 PPARG (0.50) PPARAPPARGPTPN1

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-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP claimed