SCHEMBL4592079

SCHEMBL4592079

CCCc1nc(C(=O)OCC)c(C(C)(C)O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.57
AGTR1 P30556 4/20 0.49
AGTR2 P50052 4/20 0.49

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
SCHEMBL1417546 0.89 AGTR1 (0.61) PPARGAGTR1AGTR2
SCHEMBL5328080 0.89 PPARG (0.61) PPARGAGTR1AGTR2
SCHEMBL987699 0.87 AGTR1 (0.57) PPARGAGTR1AGTR2
SCHEMBL12737295 0.81 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL1758316 0.80 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL2578611 0.79 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL9031128 0.79 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL21083646 0.78 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL30849959 0.78 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL992501 0.78 AGTR1 (0.51) AGTR1AGTR2

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
EP-1931655-A2 A PROCESS FOR THE PREPARATION OF SARTAN DERIVATIVES AND INTERMEDIATES USEFUL IN SUCH PROCESS KRKA, D.D., Novo Mesto (SI) 2008-06-18 EP disclosed
WO-2007039117-A2 A PROCESS FOR THE PREPARATION OF SARTAN DERIVATIVES AND INTERMEDIATES USEFUL IN SUCH PROCESS KRKA, D.D., NOVO, MESTO (SI) 2007-04-12 WO disclosed