SCHEMBL7765587

SCHEMBL7765587

COc1cc(C(=O)c2cccc(C(F)(F)F)c2)c(Oc2c(Br)cc(C[C@H](N)C(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.61
THRB P10828 7/20 0.38
THRA P10827 6/20 0.38
PPARG P37231 1/20 0.37
SLC7A5 Q01650 3/20 0.37
POLB P06746 1/20 0.36
PPARA Q07869 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAOB P27338 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7052045 0.88 NR3C1 (0.78) NR3C1THRBTHRAAKR1C3AKR1C2
SCHEMBL7054015 0.86 NR3C1 (0.66) NR3C1THRBTHRAPOLBMAOB
SCHEMBL7047606 0.77 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7054470 0.77 NR3C1 (0.84) NR3C1THRBTHRA
SCHEMBL7052325 0.76 NR3C1 (0.84) NR3C1THRBTHRA
SCHEMBL7054567 0.76 NR3C1 (0.83) NR3C1THRBTHRA
SCHEMBL5632584 0.76 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL27565370 0.76 NR3C1 (0.66) NR3C1THRBTHRA
SCHEMBL7048724 0.76 NR3C1 (0.65) NR3C1THRBTHRAPOLB
SCHEMBL7050835 0.75 NR3C1 (0.82) NR3C1THRBTHRAPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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