SCHEMBL5209719

SCHEMBL5209719

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.47
PPARA Q07869 7/20 0.47
PTPN1 P18031 2/20 0.45
PPARD Q03181 3/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 2/20 0.42
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
KCNQ1 P51787 1/20 0.42
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL5211867 0.95 PPARG (0.48) PPARGPPARAPTPN1PPARDCYP2C9
SCHEMBL5210445 0.93 PPARA (0.48) PPARGPPARACYP2C9KCNH2FFAR1
SCHEMBL5208392 0.93 PPARA (0.55) PPARGPPARAPTPN1
SCHEMBL5205909 0.91 PPARA (0.49) PPARGPPARAMAPTFFAR1TP53
SCHEMBL5205913 0.91 FFAR1 (0.50) PPARGPPARAMAPTFFAR1TP53
SCHEMBL5210317 0.90 FFAR1 (0.52) PPARGPPARAMAPTFFAR1TP53
SCHEMBL2518483 0.90 PPARG (0.50) PPARGPPARAPTPN1PPARDCYP2C9
SCHEMBL2518481 0.90 PPARG (0.50) PPARGPPARAPTPN1PPARDCYP2C9
SCHEMBL5210899 0.88 PPARA (0.49) PPARGPPARACYP2C9KCNH2MAPT
SCHEMBL5206559 0.87 MAPT (0.46) PPARGPPARAPPARDMAPTKCNQ1

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