SCHEMBL4353708

SCHEMBL4353708

Cc1cc(Oc2c(Br)cc(CC(=O)N(CC(=O)O)c3ccccc3)cc2Br)cc(C)c1O.Cc1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)cc(C(C)C)c1O.Cc1cc(Oc2c(Br)cc(CC(=O)c3ccccc3NCC(=O)O)cc2Br)cc(C(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.64
THRB P10828 17/20 0.64

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
SCHEMBL4529612 0.86 THRA (0.58) THRATHRB
SCHEMBL5292931 0.83 THRA (0.62) THRATHRB
SCHEMBL4347327 0.80 THRB (0.46) THRATHRB
SCHEMBL4358728 0.80 THRA (1.00) THRATHRB
SCHEMBL4347328 0.78 THRB (0.50) THRATHRB
SCHEMBL5487939 0.78 THRA (0.59) THRATHRB
SCHEMBL5275174 0.78 THRA (0.59) THRATHRB
SCHEMBL4351574 0.76 THRB (0.68) THRATHRB
SCHEMBL4533980 0.75 THRA (0.61) THRATHRB
SCHEMBL5964571 0.75 THRA (0.55) 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