SCHEMBL5723368

SCHEMBL5723368

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 19/20 0.43
THRB P10828 19/20 0.43
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RIN1 Q13671 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5722581 0.94 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5722643 0.91 THRB (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5717929 0.90 THRB (0.44) THRATHRBESR1NR3C1PGR
SCHEMBL5722932 0.88 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5717870 0.87 THRB (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5722485 0.87 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5717733 0.86 THRB (0.48) THRATHRBESR1NR3C1PGR
SCHEMBL5722682 0.85 THRB (0.49) THRATHRBESR1NR3C1PGR
SCHEMBL5717777 0.84 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5722632 0.84 THRA (0.41) 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