SCHEMBL6545236

SCHEMBL6545236

CCCCCC(CNCCc1cccc(OC(C)(CC)C(=O)O)c1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
CYP2D6 P10635 7/20 0.43
KCNH2 Q12809 2/20 0.43
ADRB3 P13945 4/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL6545148 0.77 PPARA (0.42) PPARAPPARG
SCHEMBL6363875 0.75 PPARA (0.54) PPARAPPARGCYP2D6
SCHEMBL6545685 0.74 PPARA (0.45) PPARAPPARG
SCHEMBL6364312 0.74 PPARG (0.58) PPARAPPARG
SCHEMBL6544734 0.72 ADRB1 (0.46) PPARAPPARGCYP2D6KCNH2ADRB3
SCHEMBL6545718 0.72 PPARG (0.46) PPARAPPARGCYP2D6
SCHEMBL6358041 0.72 PPARA (0.53) PPARAPPARGCYP2D6KCNH2
SCHEMBL6357740 0.71 PPARA (0.54) PPARAPPARG
SCHEMBL6545681 0.71 PPARA (0.54) PPARAPPARG
SCHEMBL6545146 0.70 PPARA (0.52) PPARAPPARGCYP2D6

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