SCHEMBL14445993

SCHEMBL14445993

C=CCN(Cc1ccc(OC(C)(C)C(=O)OCC)c(Cl)c1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.42
GCGR P47871 14/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
GIPR P48546 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 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
SCHEMBL14446016 0.92 PPARA (0.51) PPARGPPARDPPARAGCGRGIPR
SCHEMBL4682098 0.88 PPARG (0.43) PPARGPPARDPPARAMAPTGCGR
SCHEMBL14445979 0.85 PPARA (0.40) PPARGPPARDPPARAMAPTGCGR
SCHEMBL14445963 0.83 PPARG (0.38) PPARGPPARDPPARAMAPT
SCHEMBL5397707 0.82 PPARA (0.45) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL4682081 0.81 MAPT (0.41) PPARGPPARDPPARAMAPTGCGR
SCHEMBL5415691 0.79 PPARA (0.40) PPARGPPARDPPARAMAPTGCGR
SCHEMBL5406496 0.79 PPARA (0.41) PPARGPPARDPPARAGCGRPTGDR2
SCHEMBL4681928 0.78 MAPT (0.42) PPARGPPARDPPARAMAPTGCGR
SCHEMBL4682077 0.78 PPARA (0.39) PPARGPPARDPPARAGCGRPTGDR2

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 1 patent. 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 disclosed