SCHEMBL5210899

SCHEMBL5210899

Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1COc1ccc(S(=O)(=O)N2CC[C@H]2OC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.49
PPARG P37231 10/20 0.49
FFAR1 O14842 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 3/20 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
SCHEMBL5210445 0.95 PPARA (0.48) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL5211867 0.93 PPARG (0.48) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL2520054 0.89 PPARG (0.52) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL2520051 0.89 PPARG (0.52) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL5209719 0.88 PPARG (0.47) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL5210569 0.88 FFAR1 (0.53) PPARAPPARGFFAR1MAPTTP53
SCHEMBL5210493 0.87 PPARA (0.50) PPARAPPARGFFAR1MAPTTP53
SCHEMBL2514695 0.87 PPARG (0.51) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL2514696 0.87 PPARG (0.51) PPARAPPARGFFAR1CYP2C9KCNH2
SCHEMBL5206326 0.84 PPARA (0.44) PPARAPPARGFFAR1CYP2C9KCNH2

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