SCHEMBL6545685

SCHEMBL6545685

CCCCCC(CC(N)Cc1cccc(OC(C)(CC)C(=O)O)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
PPARG P37231 6/20 0.45
MMP1 P03956 5/20 0.39
MMP7 P09237 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
ACE P12821 2/20 0.39
SIGMAR1 Q99720 3/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CSNK1E P49674 1/20 0.35
CETP P11597 1/20 0.35
PTGIR P43119 1/20 0.35

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 0.85 PPARA (0.42) PPARAPPARGSIGMAR1PTGIR
SCHEMBL6545236 0.74 PPARA (0.48) PPARAPPARG
SCHEMBL6545681 0.72 PPARA (0.54) PPARAPPARGCETP
SCHEMBL6357740 0.72 PPARA (0.54) PPARAPPARGCETP
SCHEMBL6363875 0.69 PPARA (0.54) PPARAPPARGCETP
SCHEMBL6545718 0.66 PPARG (0.46) PPARAPPARGMMP1MMP3
SCHEMBL6357807 0.66 PPARA (0.53) PPARAPPARG
SCHEMBL6363553 0.66 BMP1 (0.57) PPARAPPARGMMP3
SCHEMBL6364312 0.66 PPARG (0.58) PPARAPPARG
SCHEMBL3823938 0.65 NR4A2 (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