SCHEMBL7054210

SCHEMBL7054210

COc1cc(C(=O)c2cccc(C#CCO)c2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.75
THRB P10828 16/20 0.43
THRA P10827 14/20 0.43
MAPK14 Q16539 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7049890 0.93 NR3C1 (0.64) NR3C1THRBTHRAMAPK14
SCHEMBL7688523 0.92 NR3C1 (0.79) NR3C1THRBTHRA
SCHEMBL7054321 0.92 NR3C1 (0.78) NR3C1THRBTHRA
SCHEMBL7050851 0.90 NR3C1 (0.75) NR3C1THRBTHRA
SCHEMBL7048666 0.90 NR3C1 (0.75) NR3C1THRBTHRA
SCHEMBL7054470 0.87 NR3C1 (0.84) NR3C1THRBTHRA
SCHEMBL7052325 0.87 NR3C1 (0.84) NR3C1THRBTHRA
SCHEMBL7054567 0.86 NR3C1 (0.83) NR3C1THRBTHRA
SCHEMBL5632584 0.86 NR3C1 (1.00) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7047606 0.85 NR3C1 (0.82) 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 4 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
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP disclosed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed