SCHEMBL6544739

SCHEMBL6544739

CCCCCCC(=O)C(N)(CCc1cccnc1)Cc1cccc(OC(C)(CC)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.48
PPARG P37231 6/20 0.48
TBXAS1 P24557 7/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL6544746 0.83 PPARG (0.43) PPARAPPARGTBXAS1TDP1L3MBTL1
SCHEMBL6422826 0.82 PPARA (0.53) PPARAPPARGTBXAS1TDP1L3MBTL1
SCHEMBL6545724 0.79 PPARA (0.49) PPARAPPARGS1PR4S1PR1S1PR3
SCHEMBL6544732 0.76 PPARG (0.43) PPARAPPARGTBXAS1
SCHEMBL6364104 0.76 PPARA (0.52) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL6544734 0.74 ADRB1 (0.46) PPARAPPARG
SCHEMBL6364312 0.72 PPARG (0.58) PPARAPPARG
SCHEMBL6358985 0.71 NCOA1 (0.40) PPARAPPARG
SCHEMBL6545721 0.68 PPARA (0.46) PPARAPPARGS1PR4S1PR1S1PR3
SCHEMBL6363253 0.68 PPARA (0.57) PPARAPPARG

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