SCHEMBL3849928

SCHEMBL3849928

CCCCc1nc(C(=O)OCOC(=O)OC(C)C)c(C(C)(C)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
PPARG P37231 3/20 0.44
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3842278 0.96 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL3842922 0.92 AGTR2 (0.55) AGTR1AGTR2PPARGKCNH2
SCHEMBL7883547 0.90 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL7438005 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL668511 0.90 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL668512 0.89 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL3848685 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL7887910 0.87 AGTR1 (0.36) AGTR1AGTR2PPARG
SCHEMBL761436 0.86 AGTR2 (0.54) AGTR1AGTR2PPARG
SCHEMBL7428535 0.86 AGTR1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884240-B1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE DAIICHI SANKYO CO LTD (JP) 2009-11-11 EP claimed