SCHEMBL10185897

SCHEMBL10185897

COc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OC/C(=N/N(C)c3ccccc3)C(C)=N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.48
PPARG P37231 16/20 0.48
CYP2C9 P11712 11/20 0.48
KCNH2 Q12809 9/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42
SLC2A1 P11166 1/20 0.40

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
SCHEMBL10184533 0.84 PPARA (0.55) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL10186221 0.78 PPARA (0.53) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL10184560 0.78 PPARA (0.53) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073233 0.71 PPARG (0.50) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL5428359 0.71 PPARA (0.60) PPARAPPARGCYP2C9KCNH2
SCHEMBL10185887 0.70 PTGDR2 (0.48) PPARAPPARGPTGDR2SLC2A1
SCHEMBL6073091 0.69 PPARG (0.56) PPARAPPARGCYP2C9KCNH2
SCHEMBL31503969 0.69 PPARA (0.48) PPARAPPARGCYP2C9KCNH2
SCHEMBL13899431 0.68 PPARA (0.61) PPARAPPARGCYP2C9KCNH2
SCHEMBL6502061 0.68 PPARA (0.58) PPARAPPARGCYP2C9KCNH2SLC2A1

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
EP-1531810-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed