SCHEMBL5406496

SCHEMBL5406496

CCOC(=O)C(C)(C)Oc1ccc(CN(C)Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.41
PPARD Q03181 9/20 0.41
PPARG P37231 6/20 0.41
GCGR P47871 5/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
FBP1 P09467 1/20 0.38
CNR1 P21554 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GRIN2B Q13224 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
SCHEMBL14445976 0.91 PPARA (0.41) PPARAPPARDPPARGFBP1
SCHEMBL14446013 0.90 PPARA (0.51) PPARAPPARDPPARGGCGR
SCHEMBL4682077 0.89 PPARA (0.39) PPARAPPARDPPARGGCGRABCB11
SCHEMBL5415691 0.89 PPARA (0.40) PPARAPPARDPPARGGCGRABCB11
SCHEMBL14445979 0.88 PPARA (0.40) PPARAPPARDPPARGGCGRABCB11
SCHEMBL14445956 0.83 PPARA (0.46) PPARAPPARDPPARGFBP1
SCHEMBL4682592 0.83 PPARA (0.41) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL14445987 0.81 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL5407750 0.81 PPARD (0.39) PPARAPPARDPPARGCYP3A4FBP1
SCHEMBL5397707 0.80 PPARA (0.45) PPARAPPARDPPARGFBP1

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 4 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
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed