SCHEMBL4351574

SCHEMBL4351574

CC(C)c1cc(Oc2c(Br)cc(CC(=O)N(CC(=O)Oc3c(F)cc(Oc4c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc4Br)cc3C(C)C)c3ccccc3)cc2Br)cc(Cl)c1O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.68
THRA P10827 16/20 0.68
RORC P51449 2/20 0.33
PTPRB P23467 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
SCHEMBL4533980 0.83 THRA (0.61) THRBTHRA
SCHEMBL4536110 0.81 THRA (1.00) THRBTHRA
SCHEMBL5277704 0.78 THRB (0.48) THRBTHRARORC
SCHEMBL5275174 0.76 THRA (0.59) THRBTHRA
SCHEMBL4353708 0.76 THRA (0.64) THRBTHRA
SCHEMBL5292931 0.75 THRA (0.62) THRBTHRA
SCHEMBL4358728 0.75 THRA (1.00) THRBTHRA
SCHEMBL14342225 0.72 THRA (0.81) THRBTHRARORC
SCHEMBL14342082 0.72 THRB (0.68) THRBTHRARORC
SCHEMBL5279780 0.70 THRA (0.68) THRBTHRA

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