SCHEMBL5722682

SCHEMBL5722682

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.49
THRA P10827 16/20 0.49
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 2/20 0.36

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
SCHEMBL5104139 0.89 THRA (0.61) THRBTHRAESR1NR3C1PGR
SCHEMBL5112680 0.89 THRA (0.47) THRBTHRAESR1NR3C1PGR
SCHEMBL5717988 0.89 THRB (0.52) THRBTHRAESR1NR3C1PGR
SCHEMBL5717733 0.88 THRB (0.48) THRBTHRAESR1NR3C1PGR
SCHEMBL5108749 0.88 THRA (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL5103539 0.87 THRA (0.49) THRBTHRAESR1NR3C1PGR
SCHEMBL5106856 0.87 THRB (0.48) THRBTHRAESR1NR3C1PGR
SCHEMBL5108841 0.87 FABP4 (0.42) THRBTHRA
SCHEMBL5722485 0.87 THRA (0.42) THRBTHRAESR1NR3C1PGR
SCHEMBL5103564 0.86 THRB (0.49) THRBTHRAESR1NR3C1PGR

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