SCHEMBL9871876

SCHEMBL9871876

CC(C)(C)Cc1nc2c(OC(=O)c3ccccc3)nnc(OC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46

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
SCHEMBL9872071 0.94 PPARG (0.44) PPARG
SCHEMBL9871056 0.91 PPARG (0.47) PPARG
SCHEMBL9873321 0.88 PPARG (0.51) PPARG
SCHEMBL9873604 0.87 AGTR2 (0.60)
SCHEMBL9871081 0.87 PPARG (0.48) PPARG
SCHEMBL9873859 0.87 PPARG (0.47) PPARG
SCHEMBL9875177 0.86 PPARG (0.49) PPARG
SCHEMBL9874013 0.85 PPARG (0.46) PPARG
SCHEMBL9873400 0.85 AGTR1 (0.38)
SCHEMBL9874116 0.85 PPARG (0.44) PPARG

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-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed