SCHEMBL7052346

SCHEMBL7052346

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.64
THRB P10828 17/20 0.48
THRA P10827 16/20 0.48
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 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
SCHEMBL7051598 0.91 NR3C1 (0.53) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7251792 0.84 NR3C1 (0.62) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7054764 0.84 NR3C1 (0.61) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7050494 0.82 NR3C1 (0.70) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7052325 0.82 NR3C1 (0.84) NR3C1THRBTHRA
SCHEMBL7252094 0.82 NR3C1 (0.63) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7253471 0.81 NR3C1 (0.82) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7054870 0.80 NR3C1 (0.81) NR3C1THRBTHRA
SCHEMBL7682264 0.80 NR3C1 (0.67) NR3C1THRBTHRA
SCHEMBL7048692 0.80 NR3C1 (0.61) NR3C1THRBTHRAALOX15TSHR

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 5 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
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
EP-1102739-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-30 EP disclosed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 WO disclosed