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SCHEMBL5717849

SCHEMBL5717849

CC(C)Nc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F.CC(C)Nc1cc(Cl)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 17/20 0.46
▸ THRB P10828 17/20 0.46
▸ ESR1 P03372 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ AR P10275 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.35
▸ GPR139 Q6DWJ6 2/20 0.33

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
SCHEMBL4929566 0.93 THRA (0.52) THRATHRBESR1NR3C1PGR
SCHEMBL4934502 0.93 GPR139 (0.37) THRATHRBFFAR4GPR139
SCHEMBL5717785 0.91 THRA (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5722632 0.89 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5717950 0.89 THRA (0.44) THRATHRBESR1NR3C1PGR
SCHEMBL5717853 0.89 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL4930888 0.86 GPR139 (0.37) THRATHRBGPR139
SCHEMBL5717863 0.86 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5107954 0.84 THRA (0.38) THRATHRBGPR139
SCHEMBL4935620 0.84 THRB (0.50) 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