SCHEMBL5206326

SCHEMBL5206326

Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.44
PPARG P37231 11/20 0.44
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL2917013 0.94 TP53 (0.46) PPARAPPARGTP53MAPTFFAR1
SCHEMBL5278398 0.90 PPARG (0.50) PPARAPPARGTP53MAPTFFAR1
SCHEMBL2523255 0.90 PPARA (0.45) PPARAPPARGTP53MAPTFFAR1
SCHEMBL2523252 0.90 PPARA (0.45) PPARAPPARGTP53MAPTFFAR1
SCHEMBL5213251 0.88 TP53 (0.49) PPARAPPARGTP53MAPTFFAR1
SCHEMBL5299157 0.88 MAPT (0.44) PPARAPPARGTP53MAPTALDH1A1
SCHEMBL5210899 0.84 PPARA (0.49) PPARAPPARGTP53MAPTFFAR1
SCHEMBL5213073 0.83 PPARG (0.54) PPARAPPARG
SCHEMBL14071895 0.83 TP53 (0.47) PPARAPPARGTP53MAPTFFAR1
SCHEMBL181098 0.83 TP53 (0.47) PPARAPPARGTP53MAPTFFAR1

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