SCHEMBL6506077

SCHEMBL6506077

CCOC(=O)CN(Cc1ccc(OCCc2nc(-c3ccc(C)s3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.64
PPARG P37231 17/20 0.64
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5430239 0.91 PPARA (0.77) PPARAPPARGCYP2C9KCNH2
SCHEMBL5438454 0.84 PPARA (0.73) PPARAPPARGCYP2C9KCNH2
SCHEMBL5434713 0.83 PPARG (0.59) PPARAPPARG
SCHEMBL13721845 0.82 PPARA (0.79) PPARAPPARGCYP2C9KCNH2
SCHEMBL6342308 0.80 PPARA (0.87) PPARAPPARGCYP2C9KCNH2
SCHEMBL6505289 0.80 PPARA (0.77) PPARAPPARGCYP2C9KCNH2
SCHEMBL13718146 0.80 PPARA (0.93) PPARAPPARGCYP2C9KCNH2
Muraglitazar SCHEMBL676469 0.78 PPARA (1.00) PPARAPPARGCYP2C9KCNH2
SCHEMBL14599062 0.77 PPARG (0.85) PPARAPPARG
SCHEMBL5425800 0.77 PPARA (0.78) PPARAPPARGCYP2C9KCNH2

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-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed