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SCHEMBL5717853

SCHEMBL5717853

CC(C)Nc1cc(Cl)cc(COc2c(Br)cc(CCC(=O)OC(=O)CNC(=O)c3cc(Br)c(OCc4cc(Cl)cc(NC(C)C)c4F)c(Br)c3)cc2Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 13/20 0.37
▸ THRB P10828 13/20 0.37
▸ 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
▸ GPR139 Q6DWJ6 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL5717849 0.89 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5717867 0.86 THRA (0.33) THRATHRB
SCHEMBL4929566 0.84 THRA (0.52) THRATHRBESR1NR3C1PGR
SCHEMBL4934502 0.84 GPR139 (0.37) THRATHRBGPR139KMT2AMEN1
SCHEMBL5717779 0.83 THRA (0.36) THRATHRBKMT2AMEN1
SCHEMBL5717758 0.81 KMT2A (0.35) GPR139KMT2APKMGCGRMEN1
SCHEMBL5717785 0.81 THRA (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5717989 0.79 THRA (0.35) THRATHRBKMT2APKMMEN1
SCHEMBL5722632 0.79 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5717947 0.79 THRB (0.42) THRATHRBESR1NR3C1PGR

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