SCHEMBL5717852

SCHEMBL5717852

N#Cc1cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)cc(NCC2CC2)c1.N#Cc1cc(COc2c(Br)cc(CCC(=O)O)cc2Br)cc(NCC2CC2)c1.N#Cc1cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)cc(NCC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 16/20 0.41
THRB P10828 16/20 0.41
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
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
F10 P00742 1/20 0.32
EGLN1 Q9GZT9 1/20 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
SCHEMBL4933712 0.91 EGLN1 (0.36) THRATHRBARMRGPRX4EGLN1
SCHEMBL4934119 0.88 THRA (0.52) THRATHRBESR1NR3C1PGR
SCHEMBL5717839 0.87 THRA (0.44) THRATHRBESR1NR3C1PGR
SCHEMBL5718269 0.87 THRA (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5718451 0.87 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5718189 0.84 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5717939 0.82 THRB (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL4926195 0.80 CACNA1I (0.39) THRATHRBF10
SCHEMBL5718057 0.80 THRB (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5722510 0.80 THRB (0.38) 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