SCHEMBL5717870

SCHEMBL5717870

CCCNc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1Cl.CCCNc1cccc(COc2c(Br)cc(CC(=O)O)cc2Br)c1F.CCCNc1cccc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 20/20 0.42
THRA P10827 19/20 0.42
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

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
SCHEMBL5717929 0.92 THRB (0.44) THRBTHRAESR1NR3C1PGR
SCHEMBL5722643 0.89 THRB (0.42) THRBTHRAESR1NR3C1PGR
SCHEMBL5717866 0.88 HPGD (0.40) THRBTHRA
SCHEMBL5723368 0.87 THRA (0.43) THRBTHRAESR1NR3C1PGR
SCHEMBL5717988 0.87 THRB (0.52) THRBTHRAESR1NR3C1PGR
SCHEMBL5717777 0.86 THRA (0.42) THRBTHRAESR1NR3C1PGR
SCHEMBL5717932 0.85 THRB (0.38) THRBTHRAESR1NR3C1PGR
SCHEMBL5722485 0.85 THRA (0.42) THRBTHRAESR1NR3C1PGR
SCHEMBL4934628 0.84 SMN1; SMN2 (0.40) THRBTHRA
SCHEMBL5718003 0.84 THRA (0.39) 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-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