SCHEMBL4523206

SCHEMBL4523206

CC(C)CNc1ccc(Oc2c(Cl)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.51
THRA P10827 16/20 0.51
RORC P51449 2/20 0.42

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
SCHEMBL4529401 0.86 THRA (0.62) THRBTHRA
SCHEMBL4523202 0.85 THRB (0.54) THRBTHRARORC
SCHEMBL4524227 0.75 THRB (0.77) THRBTHRARORC
SCHEMBL5387736 0.74 THRB (0.56) THRBTHRARORC
SCHEMBL2786735 0.73 THRB (0.61) THRBTHRA
SCHEMBL2785262 0.73 THRB (0.61) THRBTHRA
SCHEMBL2785259 0.73 THRB (0.61) THRBTHRA
SCHEMBL5406589 0.72 THRB (0.58) THRBTHRARORC
SCHEMBL7194241 0.70 THRA (0.74) THRBTHRA
SCHEMBL4359309 0.70 THRA (0.71) 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 3 patents. 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
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO disclosed