SCHEMBL6545389

SCHEMBL6545389

CCCCCCCN(CC(c1ccc(CC(OCC)C(=O)OC)cc1)N(CCCCCCC)C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CCKBR P32239 3/20 0.36
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX3 P56373 1/20 0.33
PTPRF P10586 1/20 0.33

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
SCHEMBL6545034 0.90 CCKBR (0.37) PPARGPPARDPPARACCKBRCA12
SCHEMBL6359185 0.85 PPARG (0.50) PPARGPPARDPPARACCKBRCA12
SCHEMBL7177105 0.84 CNR2 (0.34) PPARGPPARDPPARASMN1; SMN2P2RX3
SCHEMBL6357812 0.79 PPARG (0.43) PPARGPPARDPPARACCKBRCA12
SCHEMBL6746903 0.77 PPARA (0.53) PPARGPPARDPPARAPTPRFPTPN2
SCHEMBL6745484 0.76 CNR2 (0.41) PPARGPPARDPPARAPOLBCA12
SCHEMBL5977309 0.74 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL5979430 0.74 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL5980867 0.74 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL5975547 0.73 PPARA (0.54) PPARGPPARDPPARA

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