SCHEMBL6544732

SCHEMBL6544732

CCCCCCC(=O)CC(NCCc1cccnc1)c1cccc(OC(C)(CC)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
TLR2 O60603 1/20 0.39
NAMPT P43490 1/20 0.38
PTAFR P25105 7/20 0.38
TBXAS1 P24557 5/20 0.37
FAAH O00519 1/20 0.37
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL6544734 0.80 ADRB1 (0.46) PPARGPPARAADRB1ADRB3
SCHEMBL6422826 0.78 PPARA (0.53) PPARGPPARATBXAS1TRPV1
SCHEMBL6544746 0.77 PPARG (0.43) PPARGPPARATBXAS1FAAH
SCHEMBL6544739 0.76 PPARA (0.48) PPARGPPARATBXAS1
SCHEMBL6364312 0.74 PPARG (0.58) PPARGPPARATRPV1
SCHEMBL6364104 0.72 PPARA (0.52) PPARGPPARATRPV1
SCHEMBL6545717 0.69 PPARG (0.46) PPARGPPARA
SCHEMBL30444565 0.66 FAAH (0.67) PTAFRTBXAS1FAAHTRPV1
SCHEMBL2186612 0.66 FAAH (0.67) PTAFRTBXAS1FAAHTRPV1
SCHEMBL6358985 0.66 NCOA1 (0.40) PPARGPPARA

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