SCHEMBL5210969

SCHEMBL5210969

Cc1oc(-c2ccccc2)nc1CCSc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
PPARG P37231 17/20 0.44
PPARA Q07869 13/20 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
SCHEMBL5210830 0.92 MAPT (0.43) HRH3
SCHEMBL2523393 0.89 HRH3 (0.48) HRH3PPARGPPARA
SCHEMBL2523398 0.89 HRH3 (0.48) HRH3PPARGPPARA
SCHEMBL5211136 0.89 PPARG (0.56) PPARGPPARA
SCHEMBL5207399 0.85 PPARA (0.42) PPARGPPARA
SCHEMBL5210317 0.84 FFAR1 (0.52) PPARGPPARA
SCHEMBL5210810 0.83 PPARG (0.57) PPARGPPARA
SCHEMBL5205913 0.83 FFAR1 (0.50) PPARGPPARA
SCHEMBL5206559 0.83 MAPT (0.46) PPARGPPARA
SCHEMBL5210696 0.83 PPARG (0.51) 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-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP claimed