SCHEMBL7052325

SCHEMBL7052325

COc1cc(C(=O)c2ccccc2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.84
THRB P10828 15/20 0.51
THRA P10827 13/20 0.51
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL7054470 0.92 NR3C1 (0.84) NR3C1THRBTHRACYP1A2CYP2C19
SCHEMBL7054870 0.92 NR3C1 (0.81) NR3C1THRBTHRA
SCHEMBL7053515 0.92 NR3C1 (0.72) NR3C1THRBTHRACYP1A2CYP2D6
SCHEMBL7054567 0.91 NR3C1 (0.83) NR3C1THRBTHRA
SCHEMBL5632584 0.91 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL7051707 0.91 NR3C1 (0.74) NR3C1THRBTHRA
SCHEMBL7054052 0.91 NR3C1 (0.74) NR3C1THRBTHRA
SCHEMBL7052047 0.91 NR3C1 (0.74) NR3C1THRBTHRA
SCHEMBL14514540 0.91 NR3C1 (0.70) NR3C1THRBTHRAPTGDR2
SCHEMBL7688523 0.91 NR3C1 (0.79) NR3C1THRBTHRACYP1A2CYP2D6

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