SCHEMBL7053503

SCHEMBL7053503

COc1cc(C(=O)c2ccccc2C)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.74
THRB P10828 17/20 0.48
THRA P10827 16/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7251532 0.91 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL6732356 0.91 NR3C1 (0.62) NR3C1THRBTHRAPTGDR2
SCHEMBL7053942 0.90 NR3C1 (0.70) NR3C1THRBTHRA
SCHEMBL7052325 0.89 NR3C1 (0.84) NR3C1THRBTHRAPTGDR2
SCHEMBL7054870 0.85 NR3C1 (0.81) NR3C1THRBTHRA
SCHEMBL5632584 0.85 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL7251756 0.84 NR3C1 (0.68) NR3C1THRBTHRA
SCHEMBL7253471 0.84 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7054470 0.84 NR3C1 (0.84) NR3C1THRBTHRAPTGDR2
SCHEMBL7250323 0.83 NR3C1 (0.61) NR3C1THRBTHRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP claimed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US claimed