SCHEMBL7048692

SCHEMBL7048692

COc1cc(C(=O)N2CCCC2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.61
THRB P10828 8/20 0.47
THRA P10827 7/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 2/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 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
SCHEMBL7677676 0.91 NR3C1 (0.51) NR3C1THRBTHRAKMT2AMEN1
SCHEMBL7054414 0.84 KMT2A (0.50) NR3C1KMT2AMEN1ALDH1A1GAA
SCHEMBL7251792 0.81 NR3C1 (0.62) NR3C1THRBTHRAKMT2AMEN1
SCHEMBL7052346 0.80 NR3C1 (0.64) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7052325 0.80 NR3C1 (0.84) NR3C1THRBTHRAHPGD
SCHEMBL7252094 0.80 NR3C1 (0.63) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7253471 0.79 NR3C1 (0.82) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7049882 0.78 NR3C1 (0.72) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7054870 0.78 NR3C1 (0.81) NR3C1THRBTHRA
SCHEMBL7054764 0.78 NR3C1 (0.61) NR3C1THRBTHRAALDH1A1ALOX15

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
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US claimed
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