SCHEMBL9533111

SCHEMBL9533111

CCCn1c(C(OC)OC)c(CCC(C)C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
AGTR2 P50052 3/20 0.49
PPARG P37231 2/20 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
SCHEMBL9036680 0.95 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9553983 0.95 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9532219 0.94 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9531585 0.93 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9532651 0.93 BRS3 (0.46) AGTR1AGTR2PPARG
SCHEMBL9554138 0.93 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9533868 0.93 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9531425 0.93 BRS3 (0.46) AGTR1AGTR2PPARG
SCHEMBL9530273 0.91 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9554209 0.91 BRS3 (0.45) AGTR1AGTR2PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238952-A Treating glaucoma disorders G. D. SEARLE & CO. (US) 1993-08-24 US disclosed
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed