SCHEMBL7048772

SCHEMBL7048772

COc1cc(Cc2ccccc2)c(Oc2c(Br)cc(N)cc2Br)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HTR2A P28223 2/20 0.37
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
DHPS P49366 1/20 0.37
KMT2A Q03164 2/20 0.36
CASR P41180 1/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7050839 0.87 NR3C1 (0.48) NR3C1POLBGAATHRATHRB
SCHEMBL7050913 0.86 THRA (0.43) NR3C1THRATHRB
SCHEMBL7050482 0.84 NR3C1 (0.55) NR3C1POLBGAATHRATHRB
SCHEMBL27571938 0.83 NR3C1 (0.50) NR3C1POLBGAATHRATHRB
SCHEMBL7049887 0.83 P2RX3 (0.50) NR3C1POLBGAAGFERHTR2A
SCHEMBL7052078 0.78 NR3C1 (0.73) NR3C1THRATHRB
SCHEMBL7048724 0.77 NR3C1 (0.65) NR3C1POLBGFERTHRATHRB
SCHEMBL7050491 0.77 NR3C1 (0.61) NR3C1THRATHRB
SCHEMBL7051687 0.74 NR3C1 (0.51) NR3C1POLBTHRATHRBP2RX3
SCHEMBL7048681 0.73 THRB (0.46) NR3C1GAATHRBKMT2AMEN1

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