SCHEMBL5859435

SCHEMBL5859435

Nc1ccc(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1N

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 20/20 0.60
THRA P10827 17/20 0.60
PPARG P37231 1/20 0.51

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
SCHEMBL4299281 0.84 THRB (0.43) THRBTHRA
SCHEMBL5858364 0.83 THRB (0.52) THRBTHRAPPARG
SCHEMBL5278593 0.81 THRB (0.80) THRBTHRAPPARG
SCHEMBL5074214 0.80 THRB (0.74) THRBTHRA
SCHEMBL5859452 0.79 THRB (0.62) THRBTHRAPPARG
SCHEMBL5858371 0.78 THRB (0.78) THRBTHRAPPARG
SCHEMBL4299815 0.78 THRB (0.45) THRBTHRA
SCHEMBL3908141 0.78 THRA (0.49) THRBTHRA
SCHEMBL5280260 0.76 THRB (0.68) THRBTHRAPPARG
SCHEMBL3910551 0.76 THRA (0.41) THRBTHRAPPARG

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
US-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 US disclosed