SCHEMBL7055799

SCHEMBL7055799

COc1cc(C(=O)c2cccc([N+](=O)[O-])c2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.77
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
NTSR1 P30989 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL7049805 0.92 NR3C1 (0.65) NR3C1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7054470 0.88 NR3C1 (0.84) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL5633035 0.88 NR3C1 (0.73) NR3C1THRATHRBKMT2AALDH1A1
SCHEMBL7052325 0.87 NR3C1 (0.84) NR3C1THRATHRBCYP1A2CYP2C19
SCHEMBL5632584 0.87 NR3C1 (1.00) NR3C1THRATHRB
SCHEMBL7054567 0.87 NR3C1 (0.83) NR3C1THRATHRB
SCHEMBL7054486 0.86 NR3C1 (0.82) NR3C1THRATHRB
SCHEMBL7047606 0.86 NR3C1 (0.82) NR3C1THRATHRB
SCHEMBL7050835 0.86 NR3C1 (0.82) NR3C1THRATHRB
SCHEMBL7054883 0.85 NR3C1 (0.60) NR3C1KMT2ARAB9ASMN1; SMN2ALDH1A1

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
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