SCHEMBL7054876

SCHEMBL7054876

CC(C)c1cc(Oc2c(Br)cc(N)cc2Br)c(C(=O)c2ccccc2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
THRA P10827 8/20 0.47
THRB P10828 8/20 0.47
BCL2 P10415 2/20 0.45
MCL1 Q07820 2/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
POLB P06746 1/20 0.39

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
SCHEMBL7052042 0.91 THRA (0.59) NR3C1THRATHRBBCL2MCL1
SCHEMBL7051611 0.88 NR3C1 (0.51) NR3C1THRATHRBBCL2MCL1
SCHEMBL7048724 0.88 NR3C1 (0.65) NR3C1THRATHRBBCL2MCL1
SCHEMBL7053938 0.87 NR3C1 (0.67) NR3C1THRATHRB
SCHEMBL7052898 0.86 THRA (0.48) NR3C1THRATHRBBCL2MCL1
SCHEMBL7051459 0.84 NR3C1 (0.59) NR3C1THRATHRB
SCHEMBL7048799 0.84 NR3C1 (0.47) NR3C1THRATHRBBCL2MCL1
SCHEMBL7053962 0.80 NR3C1 (0.46) NR3C1THRATHRBBCL2MCL1
SCHEMBL7053960 0.79 NR3C1 (0.62) NR3C1THRATHRB
SCHEMBL5631737 0.79 NR3C1 (0.81) 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