SCHEMBL6527236

SCHEMBL6527236

CCOC(=O)[C@H](Cc1ccc(C#CCN2C(=O)CSc3ccccc32)cc1)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 19/20 0.44
PPARA Q07869 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
SCHEMBL6530937 0.86 PPARG (0.44) PPARGPPARA
SCHEMBL6528869 0.81 PPARG (0.46) PPARGPPARA
SCHEMBL6528743 0.79 PPARG (0.44) PPARGPPARA
SCHEMBL6533895 0.77 PPARG (0.50) PPARGPPARA
SCHEMBL6509016 0.76 PPARG (0.46) PPARGPPARA
SCHEMBL6527238 0.74 NPSR1 (0.45) NPSR1
SCHEMBL4159916 0.74 PPARG (0.61) PPARGPPARA
SCHEMBL6529659 0.72 PPARG (0.47) PPARGPPARA
SCHEMBL6530163 0.69 PPARG (0.56) PPARGPPARA
SCHEMBL6155687 0.68 PPARG (0.52) PPARGPPARA

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-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO disclosed