SCHEMBL7050858

SCHEMBL7050858

COC(=O)Cc1cc(Br)c(Oc2cc(C(C)C)c(OC)cc2C(=O)c2cccc(C#Cc3cccc(O)c3)c2)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.64
THRA P10827 13/20 0.36
THRB P10828 13/20 0.36
ACACB O00763 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL7050851 0.93 NR3C1 (0.75) NR3C1THRATHRBFFAR1
SCHEMBL7049890 0.90 NR3C1 (0.64) NR3C1THRATHRBACACBCYP1A2
SCHEMBL7681978 0.87 NR3C1 (0.71) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7688523 0.86 NR3C1 (0.79) NR3C1THRATHRBCYP1A2CYP2C19
SCHEMBL5630623 0.86 NR3C1 (0.85) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7053515 0.86 NR3C1 (0.72) NR3C1THRATHRBCYP1A2CYP2C19
SCHEMBL7054017 0.85 NR3C1 (0.69) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7052864 0.85 NR3C1 (0.69) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7688423 0.85 NR3C1 (0.69) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7054567 0.85 NR3C1 (0.83) NR3C1THRATHRB

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 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