SCHEMBL4566353

SCHEMBL4566353

CC(C)CNc1ccc(Oc2c(Cl)cc(CC(=O)N(CI)C(C)C(=O)O)cc2Cl)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.56
THRA P10827 17/20 0.56
RORC P51449 2/20 0.37

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
SCHEMBL4352291 0.89 THRB (0.73) THRBTHRARORC
SCHEMBL7194241 0.84 THRA (0.74) THRBTHRA
SCHEMBL7195017 0.78 THRA (0.59) THRBTHRA
SCHEMBL5390894 0.78 THRB (0.75) THRBTHRARORC
SCHEMBL4356506 0.72 THRA (0.69) THRBTHRA
SCHEMBL5392866 0.72 THRA (1.00) THRBTHRA
SCHEMBL5387389 0.72 THRA (0.88) THRBTHRA
SCHEMBL5396339 0.72 THRB (0.79) THRBTHRARORC
SCHEMBL3136249 0.71 THRB (0.79) THRBTHRARORC
SCHEMBL5385245 0.70 THRB (0.82) THRBTHRARORC

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