SCHEMBL6544734

SCHEMBL6544734

CCCCCCC(=O)C(CNCCc1cccc(OC(C)(CC)C(=O)O)c1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.46
ADRB3 P13945 12/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
ADRB2 P07550 8/20 0.44
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6544732 0.80 PPARG (0.43) ADRB1ADRB3PPARGPPARA
SCHEMBL6422826 0.76 PPARA (0.53) PPARGPPARA
SCHEMBL6364312 0.75 PPARG (0.58) PPARGPPARA
SCHEMBL6544739 0.74 PPARA (0.48) PPARGPPARA
SCHEMBL6545236 0.72 PPARA (0.48) ADRB1ADRB3PPARGPPARAADRB2
SCHEMBL6364104 0.72 PPARA (0.52) PPARGPPARACYP2D6
SCHEMBL6544746 0.70 PPARG (0.43) PPARGPPARA
SCHEMBL6358041 0.68 PPARA (0.53) PPARGPPARACYP2D6KCNH2
SCHEMBL6545718 0.66 PPARG (0.46) PPARGPPARACYP2D6
SCHEMBL6363309 0.66 PPARA (0.61) 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