SCHEMBL6072992

SCHEMBL6072992

CCc1ccc(CCOc2ccc(CN(CC(=O)O)C(=O)Oc3ccc(F)cc3)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.51
PPARG P37231 10/20 0.51
CYP3A4 P08684 1/20 0.45
RXRA P19793 1/20 0.45
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
FAAH O00519 1/20 0.40
SLC2A4 P14672 2/20 0.39
SLC2A8 Q9NY64 1/20 0.39
SLC2A1 P11166 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL5423717 0.93 PPARA (0.58) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073141 0.93 PPARA (0.56) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073345 0.92 PPARA (0.57) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073206 0.91 PPARA (0.54) PPARAPPARGCYP2C9KCNH2SLC2A4
SCHEMBL6073140 0.90 PPARG (0.43) PPARAPPARGCYP3A4RXRAFAAH
SCHEMBL6073215 0.89 PPARG (0.47) PPARAPPARGCYP3A4RXRASLC2A4
SCHEMBL6073204 0.87 PPARA (0.52) PPARAPPARGCYP3A4RXRA
SCHEMBL6073312 0.86 PPARA (0.49) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073179 0.85 MEN1 (0.47) PPARAPPARGCYP2C9KCNH2FAAH
SCHEMBL6073111 0.85 PPARA (0.52) 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