SCHEMBL6545146

SCHEMBL6545146

CCCCCCCN(CCc1cccc(O[C@](C)(CC)C(=O)O)c1)S(=O)(=O)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.52
PPARG P37231 12/20 0.52
PPARD Q03181 2/20 0.44
CNR2 P34972 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.37
CYP2D6 P10635 1/20 0.37
BMP1 P13497 1/20 0.36

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
SCHEMBL6364742 1.00 PPARA (0.52) PPARAPPARGPPARDCNR2TAS2R14
SCHEMBL6363875 0.94 PPARA (0.54) PPARAPPARGPPARDCNR2CYP2D6
SCHEMBL6359208 0.90 PPARA (0.44) PPARAPPARGPPARDCNR2TAS2R14
SCHEMBL6361181 0.90 PPARA (0.53) PPARAPPARGPPARDCNR2TAS2R14
SCHEMBL6357807 0.88 PPARA (0.53) PPARAPPARGPPARDCNR2TAS2R14
SCHEMBL6358183 0.83 PPARA (0.59) PPARAPPARGPPARDCNR2
SCHEMBL6357740 0.82 PPARA (0.54) PPARAPPARGTAS2R14BMP1
SCHEMBL6545681 0.82 PPARA (0.54) PPARAPPARGTAS2R14BMP1
SCHEMBL6359838 0.80 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6363553 0.79 BMP1 (0.57) PPARAPPARGCNR2TAS2R14BMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 WO disclosed