SCHEMBL6073482

SCHEMBL6073482

CCc1ccc(CCOc2cc(CN(CC(=O)O)C(=O)Oc3cccc(C)c3)ccc2OC)nc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.42
PPARG P37231 14/20 0.42
CYP2C9 P11712 5/20 0.41
KCNH2 Q12809 4/20 0.41
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6073046 0.92 ALDH1A1 (0.41) PPARAPPARGLMNAMEN1ALDH1A1
SCHEMBL6073100 0.91 PPARA (0.46) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073143 0.90 PPARA (0.47) PPARAPPARGCYP2C9KCNH2MEN1
SCHEMBL6073214 0.89 PPARA (0.51) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073312 0.88 PPARA (0.49) PPARAPPARGCYP2C9KCNH2
SCHEMBL6073264 0.84 PPARA (0.47) PPARAPPARGCYP2C9KCNH2LMNA
SCHEMBL6073127 0.83 PPARA (0.52) PPARAPPARGCYP2C9KCNH2LMNA
SCHEMBL6073216 0.83 ALDH1A1 (0.45) PPARAPPARGCYP2C9KCNH2LMNA
SCHEMBL6073224 0.83 ALDH1A1 (0.48) PPARAPPARGLMNAMEN1ALDH1A1
SCHEMBL6073229 0.83 MEN1 (0.43) PPARAPPARGCYP2C9KCNH2LMNA

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