SCHEMBL5072164

SCHEMBL5072164

CCc1c2cc(Oc3c(Cl)cc(CC(=O)O)cc3Cl)ccc2nn1CC(C)C.CNC(=O)Cn1nc2ccc(Oc3c(Br)cc(NCC(=O)O)cc3Br)cc2c1C.Cc1c2cc(Oc3c(Br)cc(NCC(=O)O)cc3Br)ccc2nn1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.39
THRA P10827 17/20 0.39

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
SCHEMBL3145862 0.83 THRA (0.40) THRBTHRA
SCHEMBL3137690 0.83 THRA (0.38) THRBTHRA
SCHEMBL3127279 0.82 THRA (0.41) THRBTHRA
SCHEMBL3137173 0.81 THRA (0.51) THRBTHRA
Glycine SCHEMBL5076583 0.81 THRA (0.38) THRBTHRA
SCHEMBL5072169 0.80 THRA (0.34) THRBTHRA
SCHEMBL5073545 0.77 THRA (0.35) THRBTHRA
SCHEMBL5072172 0.75 THRA (0.33) THRBTHRA
SCHEMBL5076587 0.73 THRA (0.36) THRBTHRA
SCHEMBL3137145 0.73 THRB (0.41) THRBTHRA

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
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed