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SCHEMBL5722492

SCHEMBL5722492

CC(=O)Nc1cc(C)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1.CC(=O)Nc1cc(C)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1F.CC(=O)Nc1cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)cc(C(F)(F)F)c1.CC(=O)Nc1cc(Cl)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1F.CC(=O)Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1Cl.CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 11/20 0.42
▸ THRB P10828 11/20 0.42
▸ ESR1 P03372 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 1/20 0.33
▸ HSPH1 Q92598 1/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.31
▸ FFAR1 O14842 2/20 0.31
▸ NR2E1 Q9Y466 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
SCHEMBL5722848 0.83 THRA (0.35) THRATHRB
SCHEMBL5722603 0.81 THRA (0.43) THRATHRBESR1NR3C1PGR
SCHEMBL5722805 0.81 THRA (0.47) THRATHRBESR1NR3C1PGR
SCHEMBL5717886 0.80 THRA (0.45) THRATHRBESR1NR3C1PGR
SCHEMBL5722574 0.79 THRA (0.35) THRATHRB
SCHEMBL5723287 0.79 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5722482 0.78 THRA (0.38) THRATHRBHSPH1FFAR1
SCHEMBL5722697 0.77 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5722867 0.77 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5722485 0.76 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