SCHEMBL5205909

SCHEMBL5205909

Cc1oc(-c2ccc(F)cc2)nc1COc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 9/20 0.49
MMP1 P03956 5/20 0.44
TP53 P04637 2/20 0.44
ADAM17 P78536 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL5210493 0.95 PPARA (0.50) PPARAPPARGTP53POLBMAPT
SCHEMBL5205913 0.93 FFAR1 (0.50) PPARAPPARGTP53MAPTFFAR1
SCHEMBL5210317 0.93 FFAR1 (0.52) PPARAPPARGMMP1TP53ADAM17
SCHEMBL5209719 0.91 PPARG (0.47) PPARAPPARGTP53MAPTFFAR1
SCHEMBL2518121 0.90 PPARA (0.51) PPARAPPARGMMP1TP53ADAM17
SCHEMBL2518126 0.90 PPARA (0.51) PPARAPPARGMMP1TP53ADAM17
SCHEMBL5210445 0.88 PPARA (0.48) PPARAPPARGMMP1ADAM17FFAR1
SCHEMBL5210569 0.88 FFAR1 (0.53) PPARAPPARGTP53MAPTFFAR1
SCHEMBL5211136 0.87 PPARG (0.56) PPARAPPARG
SCHEMBL5207399 0.86 PPARA (0.42) PPARAPPARGTP53POLBMAPT

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