SCHEMBL4353250

SCHEMBL4353250

CSCCC(C(=O)O)N(I)C(=O)c1cc(Br)c(Oc2ccc(O)c(C(C)C)c2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.60
THRB P10828 15/20 0.60

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
SCHEMBL4362282 0.85 THRB (0.60) THRATHRB
SCHEMBL5618887 0.82 THRA (0.63) THRATHRB
SCHEMBL5618890 0.82 THRA (0.63) THRATHRB
SCHEMBL6099194 0.80 THRA (0.61) THRATHRB
SCHEMBL5618676 0.80 THRA (0.61) THRATHRB
SCHEMBL4539467 0.78 THRA (0.69) THRATHRB
SCHEMBL4355360 0.78 THRA (0.65) THRATHRB
SCHEMBL4358608 0.77 THRA (0.76) THRATHRB
SCHEMBL4358602 0.77 THRA (0.76) THRATHRB
SCHEMBL4536234 0.77 THRA (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed