SCHEMBL5210317

SCHEMBL5210317

Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARG P37231 11/20 0.51
PPARA Q07869 9/20 0.51
MAPT P10636 3/20 0.45
KDR P35968 1/20 0.44
TP53 P04637 2/20 0.44
MMP1 P03956 2/20 0.44
ADAM17 P78536 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
SCHEMBL5205913 0.98 FFAR1 (0.50) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5210569 0.95 FFAR1 (0.53) FFAR1PPARGPPARAMAPTKDR
SCHEMBL5205909 0.93 PPARA (0.49) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5211136 0.92 PPARG (0.56) PPARGPPARA
SCHEMBL5209719 0.90 PPARG (0.47) FFAR1PPARGPPARAMAPTTP53
SCHEMBL2523261 0.89 FFAR1 (0.54) FFAR1PPARGPPARAMAPT
SCHEMBL2523256 0.89 FFAR1 (0.54) FFAR1PPARGPPARAMAPT
SCHEMBL5210445 0.88 PPARA (0.48) FFAR1PPARGPPARAMMP1ADAM17
SCHEMBL5210493 0.87 PPARA (0.50) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5210918 0.87 PPARG (0.43) FFAR1PPARGPPARAKDR

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