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SCHEMBL5722729

SCHEMBL5722729

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 8/20 0.36
▸ THRB P10828 8/20 0.36
▸ ESR1 P03372 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL5723708 0.89 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5722518 0.82 THRA (0.36) THRATHRBESR1NR3C1PGR
SCHEMBL5718176 0.81 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5722848 0.79 THRA (0.35) THRATHRB
SCHEMBL5722603 0.77 THRA (0.43) THRATHRBESR1NR3C1PGR
SCHEMBL5722519 0.75 THRA (0.33) THRATHRB
SCHEMBL5722482 0.74 THRA (0.38) THRATHRB
SCHEMBL5717817 0.73 THRA (0.34) THRATHRB
SCHEMBL5722598 0.73 THRA (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5722801 0.72 THRA (0.41) 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-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