SCHEMBL5407750

SCHEMBL5407750

C=C(C)N(Cc1ccc(OC(C)(C)C(=O)OCC)c(Cl)c1)Cc1cc(-c2ccc(C(F)(F)F)cc2)nn1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.39
PPARG P37231 11/20 0.39
PPARA Q07869 11/20 0.39
FBP1 P09467 1/20 0.37
GPR119 Q8TDV5 1/20 0.34
PDE5A O76074 2/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE6H Q13956 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PLA2G7 Q13093 1/20 0.32
AGER Q15109 1/20 0.32

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
SCHEMBL14445976 0.89 PPARA (0.41) PPARDPPARGPPARAFBP1GPR119
SCHEMBL14445963 0.87 PPARG (0.38) PPARDPPARGPPARAFBP1GPR119
SCHEMBL4682098 0.81 PPARG (0.43) PPARDPPARGPPARACYP3A4
SCHEMBL14445956 0.81 PPARA (0.46) PPARDPPARGPPARAFBP1
SCHEMBL4682592 0.81 PPARA (0.41) PPARDPPARGPPARAFBP1GPR119
SCHEMBL5406496 0.81 PPARA (0.41) PPARDPPARGPPARAFBP1CYP3A4
SCHEMBL4682059 0.80 PPARA (0.37) PPARDPPARGPPARAFBP1GPR119
SCHEMBL14445987 0.80 PPARA (0.51) PPARDPPARGPPARA
SCHEMBL4682146 0.79 PPARA (0.45) PPARDPPARGPPARAFBP1AGER
SCHEMBL5397707 0.79 PPARA (0.45) PPARDPPARGPPARAFBP1GPR119

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
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US claimed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed