SCHEMBL6073345

SCHEMBL6073345

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.57
PPARG P37231 17/20 0.57
CYP3A4 P08684 1/20 0.45
RXRA P19793 1/20 0.45
CYP2C9 P11712 6/20 0.43
KCNH2 Q12809 5/20 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
SCHEMBL5423717 0.93 PPARA (0.58) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073141 0.93 PPARA (0.56) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6072992 0.92 PPARA (0.51) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073105 0.91 PPARG (0.59) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073008 0.90 PPARG (0.47) PPARAPPARGCYP3A4RXRA
SCHEMBL6073312 0.90 PPARA (0.49) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073100 0.88 PPARA (0.46) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073005 0.86 PPARA (0.49) PPARAPPARGCYP3A4RXRA
SCHEMBL6073204 0.85 PPARA (0.52) PPARAPPARGCYP3A4RXRA
SCHEMBL6073133 0.85 PPARG (0.49) PPARAPPARGCYP3A4RXRA

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