SCHEMBL6545681

SCHEMBL6545681

CCCCCCCN(CCc1cccc(O[C@](C)(CC)C(=O)O)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.54
PPARG P37231 7/20 0.54
BMP1 P13497 3/20 0.46
TAS2R14 Q9NYV8 3/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
P4HB P07237 1/20 0.43
CETP P11597 1/20 0.42

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
SCHEMBL6357740 1.00 PPARA (0.54) PPARAPPARGBMP1TAS2R14CA12
SCHEMBL6363553 0.93 BMP1 (0.57) PPARAPPARGBMP1TAS2R14
SCHEMBL6357807 0.93 PPARA (0.53) PPARAPPARGBMP1TAS2R14CA12
SCHEMBL6363875 0.88 PPARA (0.54) PPARAPPARGCETP
SCHEMBL6545146 0.82 PPARA (0.52) PPARAPPARGBMP1TAS2R14
SCHEMBL6364742 0.82 PPARA (0.52) PPARAPPARGBMP1TAS2R14
SCHEMBL13508458 0.81 PPARG (0.64) PPARAPPARGBMP1TAS2R14CA12
SCHEMBL6359007 0.81 PPARA (0.61) PPARAPPARGCA12CA1CA2
SCHEMBL6363253 0.80 PPARA (0.57) PPARAPPARGCA12CA1CA2
SCHEMBL6364698 0.80 PPARA (0.58) PPARAPPARGCETP

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