SCHEMBL5717892

SCHEMBL5717892

Cc1cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c(F)c(NC2CCC2)c1.Cc1cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c(F)c(NC2CCC2)c1.O=C(O)Cc1cc(Cl)c(OCc2cccc(NC3CCC3)c2Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.38
THRB P10828 14/20 0.38
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.31
PTGS2 P35354 1/20 0.31
FFAR4 Q5NUL3 3/20 0.30
FFAR1 O14842 2/20 0.30

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
SCHEMBL5717896 0.91 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5717777 0.89 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5717913 0.88 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5718003 0.88 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5722485 0.87 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5722581 0.86 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5717748 0.86 THRA (0.44) THRATHRBESR1NR3C1PGR
SCHEMBL5718149 0.86 PDE4A (0.34) THRATHRBMEN1KMT2A
SCHEMBL5717888 0.85 THRB (0.39) THRATHRBMEN1KMT2ASUCNR1
SCHEMBL5717929 0.83 THRB (0.44) 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-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