SCHEMBL5717899

SCHEMBL5717899

CCCNc1cc(Cl)cc(COc2c(Br)cc(CC(=O)O)cc2Br)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.54
THRA P10827 18/20 0.54
PPARG P37231 1/20 0.39
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL4345996 0.91 THRB (0.57) THRBTHRAPPARGESR1NR3C1
SCHEMBL4925262 0.89 THRB (0.42) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4923163 0.89 THRB (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL4927717 0.88 THRB (0.54) THRBTHRAPPARGESR1NR3C1
SCHEMBL4934000 0.88 THRB (0.54) THRBTHRAPPARGESR1NR3C1
SCHEMBL4931778 0.85 THRB (0.56) THRBTHRAPPARGESR1NR3C1
SCHEMBL4933325 0.85 THRB (0.43) THRBTHRA
SCHEMBL4932092 0.85 THRB (0.51) THRBTHRA
SCHEMBL4923070 0.85 THRB (0.66) THRBTHRAESR1NR3C1PGR
SCHEMBL4930926 0.84 THRB (0.50) THRBTHRAPPARGESR1NR3C1

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