SCHEMBL5722595

SCHEMBL5722595

CS(=O)(=O)Nc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F.CS(=O)(=O)Nc1cccc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.45
THRB P10828 13/20 0.45
NR3C1 P04150 2/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL5109270 0.90 HPGD (0.38) THRATHRBNR3C1PGRKDM4E
SCHEMBL5722600 0.90 THRA (0.37) THRATHRBNR3C1ESR1PGR
SCHEMBL5120105 0.87 THRA (0.59) THRATHRBNR3C1ESR1PGR
SCHEMBL5722524 0.86 THRA (0.40) THRATHRBNR3C1ESR1PGR
SCHEMBL5717913 0.85 THRA (0.42) THRATHRBNR3C1ESR1PGR
SCHEMBL5717929 0.84 THRB (0.44) THRATHRBNR3C1ESR1PGR
SCHEMBL5717870 0.83 THRB (0.42) THRATHRBNR3C1ESR1PGR
SCHEMBL5109714 0.82 SMN1; SMN2 (0.39) THRATHRBKDM4EALDH1A1CA1
SCHEMBL5722643 0.82 THRB (0.42) THRATHRBNR3C1ESR1PGR
SCHEMBL5723368 0.81 THRA (0.43) THRATHRBNR3C1ESR1PGR

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