SCHEMBL5717844

SCHEMBL5717844

O=C(O)CCc1cc(Br)c(OCc2cc(Cl)cc(NCC3CC3)c2F)c(Br)c1.O=C(O)CCc1cc(Cl)c(OCc2cc(Cl)cc(NC3CCC3)c2)c(Cl)c1.O=C(O)CNC(=O)c1cc(Br)c(OCc2cc(Cl)cc(NCC3CC3)c2F)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.36
THRB P10828 12/20 0.36
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
F10 P00742 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
SCHEMBL5717857 0.89 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5717863 0.89 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5717875 0.88 THRA (0.33) THRATHRB
SCHEMBL5717918 0.85 THRB (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5717896 0.84 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL4934616 0.83 CACNA1I (0.35) F10
SCHEMBL4923398 0.81 THRA (0.48) THRATHRBESR1NR3C1PGR
SCHEMBL5718115 0.81 THRA (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5718189 0.81 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL4926984 0.80 THRA (0.38) THRATHRB

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