SCHEMBL5210569

SCHEMBL5210569

Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)N2CC[C@H]2OC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
PPARG P37231 13/20 0.52
PPARA Q07869 11/20 0.52
MAPT P10636 3/20 0.46
KDR P35968 1/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL5210317 0.95 FFAR1 (0.52) FFAR1PPARGPPARAMAPTKDR
SCHEMBL5205913 0.93 FFAR1 (0.50) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5210493 0.92 PPARA (0.50) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5210810 0.92 PPARG (0.57) PPARGPPARA
SCHEMBL5211867 0.90 PPARG (0.48) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5210899 0.88 PPARA (0.49) FFAR1PPARGPPARAMAPTTP53
SCHEMBL2521135 0.88 FFAR1 (0.55) FFAR1PPARGPPARAMAPT
SCHEMBL2521132 0.88 FFAR1 (0.55) FFAR1PPARGPPARAMAPT
SCHEMBL5205909 0.88 PPARA (0.49) FFAR1PPARGPPARAMAPTTP53
SCHEMBL5211136 0.87 PPARG (0.56) 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