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SCHEMBL5722985

SCHEMBL5722985

CC(=O)Nc1cc(C#N)cc(COc2c(Br)cc(CC(=O)O)cc2Br)c1.CC(=O)Nc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F.CC(=O)Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1F.CC(=O)Nc1cccc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 11/20 0.39
▸ THRB P10828 11/20 0.39
▸ ESR1 P03372 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ CD274 Q9NZQ7 2/20 0.32
▸ BRD4 O60885 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
SCHEMBL5723147 0.93 THRA (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5722932 0.93 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5718007 0.92 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5717735 0.91 THRA (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5722510 0.89 THRB (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5718451 0.86 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5722586 0.83 THRA (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5717925 0.83 THRA (0.52) THRATHRBESR1NR3C1PGR
SCHEMBL5717802 0.83 THRB (0.53) THRATHRBESR1NR3C1PGR
SCHEMBL5722485 0.83 THRA (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-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