SCHEMBL6073214

SCHEMBL6073214

CCc1ccc(CCOc2cccc(CN(CC(=O)O)C(=O)Oc3cccc(C)c3)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.51
PPARG P37231 18/20 0.51
CYP2C9 P11712 10/20 0.47
KCNH2 Q12809 8/20 0.47
SLC2A1 P11166 1/20 0.43

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
SCHEMBL6073312 0.94 PPARA (0.49) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073105 0.93 PPARG (0.59) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073111 0.93 PPARA (0.52) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073162 0.91 PPARA (0.43) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073108 0.90 PPARG (0.53) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073127 0.90 PPARA (0.52) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073206 0.90 PPARA (0.54) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073482 0.89 PPARA (0.42) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073442 0.89 PPARG (0.60) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073264 0.86 PPARA (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
WO-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed