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SCHEMBL5717869

SCHEMBL5717869

CCNc1cc(C#N)cc(COc2c(Cl)cc(CCC(=O)OC(=O)Cc3cc(Br)c(OCc4cc(F)cc(NCC)c4)c(Br)c3)cc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 13/20 0.45
▸ THRA P10827 12/20 0.45
▸ ESR1 P03372 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ AR P10275 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL5717865 0.90 THRB (0.54) THRBTHRAESR1NR3C1PGR
SCHEMBL5717805 0.88 THRB (0.45) THRBTHRAESR1NR3C1PGR
SCHEMBL5717807 0.80 THRA (0.45) THRBTHRAESR1NR3C1PGR
SCHEMBL4923940 0.79 THRA (0.54) THRBTHRAESR1NR3C1PGR
SCHEMBL4345721 0.79 THRB (0.69) THRBTHRAESR1NR3C1PGR
SCHEMBL5717939 0.78 THRB (0.41) THRBTHRAESR1NR3C1PGR
SCHEMBL5717802 0.78 THRB (0.53) THRBTHRAESR1NR3C1PGR
SCHEMBL4923128 0.77 THRB (0.53) THRBTHRAESR1NR3C1PGR
SCHEMBL4932744 0.77 THRB (0.41) THRBTHRAMRGPRX4
SCHEMBL5722694 0.76 THRB (0.39) THRBTHRAESR1NR3C1PGR

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 — — WO disclosed