SCHEMBL5722848

SCHEMBL5722848

CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F.CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1.CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1F.CCC(=O)Nc1cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)cc(C(F)(F)F)c1.CCC(=O)Nc1cc(Cl)cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)c1.CCC(=O)Nc1cc(Cl)cc(COc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)c1.CCC(=O)Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.35
THRB P10828 5/20 0.35

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
SCHEMBL5722603 0.90 THRA (0.43) THRATHRB
SCHEMBL5717817 0.83 THRA (0.34) THRATHRB
SCHEMBL5722492 0.83 THRA (0.42) THRATHRB
SCHEMBL5722482 0.83 THRA (0.38) THRATHRB
SCHEMBL5723708 0.82 THRA (0.41) THRATHRB
SCHEMBL5722574 0.82 THRA (0.35) THRATHRB
SCHEMBL5718038 0.81 THRA (0.42) THRATHRB
SCHEMBL5718194 0.80 THRA (0.34) THRATHRB
SCHEMBL5717855 0.80 THRA (0.41) THRATHRB
SCHEMBL5722729 0.79 THRA (0.36) THRATHRB

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed