SCHEMBL5717804

SCHEMBL5717804

CCNc1cc(F)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1.CCNc1cc(F)cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.55
THRB P10828 14/20 0.55
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
ACLY P53396 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5718090 0.93 THRA (0.49) THRATHRBESR1NR3C1PGR
SCHEMBL4927337 0.90 THRB (0.49) THRATHRBSMN1; SMN2PPARAMEN1
SCHEMBL5717927 0.89 THRA (0.45) THRATHRBESR1NR3C1PGR
SCHEMBL5717807 0.89 THRA (0.45) THRATHRBESR1NR3C1PGR
SCHEMBL5722535 0.88 THRA (0.45) THRATHRBESR1NR3C1PGR
SCHEMBL4931811 0.88 THRA (0.40) THRATHRBSMN1; SMN2PPARAMEN1
SCHEMBL4932877 0.87 THRA (0.57) THRATHRBESR1NR3C1PGR
SCHEMBL4923097 0.85 THRB (0.72) THRATHRBESR1NR3C1PGR
SCHEMBL5717939 0.84 THRB (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL4922947 0.83 THRB (0.41) THRATHRBSMN1; SMN2PPARAMEN1

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