SCHEMBL6544746

SCHEMBL6544746

CCCCCCC(=O)CC(N)(CCc1cccnc1)c1cccc(OC(C)(CC)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
TBXAS1 P24557 7/20 0.37
GPR132 Q9UNW8 1/20 0.37
FAAH O00519 2/20 0.37
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6544739 0.83 PPARA (0.48) PPARGPPARATBXAS1S1PR4S1PR1
SCHEMBL6422826 0.78 PPARA (0.53) PPARGPPARATBXAS1TDP1L3MBTL1
SCHEMBL6544732 0.77 PPARG (0.43) PPARGPPARATBXAS1FAAH
SCHEMBL6364104 0.72 PPARA (0.52) PPARGPPARATDP1L3MBTL1
SCHEMBL6544734 0.70 ADRB1 (0.46) PPARGPPARA
SCHEMBL6364312 0.70 PPARG (0.58) PPARGPPARA
SCHEMBL6545721 0.70 PPARA (0.46) PPARGPPARAS1PR4S1PR1S1PR3
SCHEMBL6358985 0.67 NCOA1 (0.40) PPARGPPARAGPR132
SCHEMBL6545724 0.66 PPARA (0.49) PPARGPPARAS1PR4S1PR1S1PR3
SCHEMBL28943936 0.64 FDPS (0.52) TBXAS1TDP1L3MBTL1

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