SCHEMBL7051687

SCHEMBL7051687

COC(=O)Cc1cc(Br)c(Oc2cc(C(C)C)c(OC)cc2Cc2cccc(I)c2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
THRB P10828 14/20 0.38
THRA P10827 13/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.35
LPAR1 Q92633 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 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
SCHEMBL7050491 0.92 NR3C1 (0.61) NR3C1THRBTHRA
SCHEMBL7050482 0.90 NR3C1 (0.55) NR3C1THRBTHRAPOLBKMT2A
SCHEMBL7054017 0.85 NR3C1 (0.69) NR3C1THRBTHRARORC
SCHEMBL7052078 0.81 NR3C1 (0.73) NR3C1THRBTHRA
SCHEMBL7050206 0.80 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7251618 0.78 NR3C1 (0.52) NR3C1THRBTHRA
SCHEMBL7053515 0.77 NR3C1 (0.72) NR3C1THRBTHRAKMT2ARORC
SCHEMBL7681978 0.77 NR3C1 (0.71) NR3C1THRBTHRALPAR1
SCHEMBL7254981 0.76 NR3C1 (0.57) NR3C1THRBTHRA
SCHEMBL7050835 0.76 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 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