SCHEMBL7053492

SCHEMBL7053492

COc1cc(C(=O)c2ccc(Cl)cc2)c(Oc2c(Br)cc(CC=O)cc2Br)cc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.58
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.39
THRB P10828 7/20 0.35
THRA P10827 6/20 0.35
HDAC8 Q9BY41 2/20 0.35
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL7052900 0.90 NR3C1 (0.65) NR3C1MAPTTHRBTHRARORC
SCHEMBL7051707 0.89 NR3C1 (0.74) NR3C1POLBMAPTTHRBTHRA
SCHEMBL7687151 0.88 NR3C1 (0.62) NR3C1POLBMAPTTHRBTHRA
SCHEMBL7054870 0.80 NR3C1 (0.81) NR3C1THRBTHRA
SCHEMBL7052325 0.79 NR3C1 (0.84) NR3C1THRBTHRACYP1A2CYP2D6
SCHEMBL7052047 0.79 NR3C1 (0.74) NR3C1MAPTTHRBTHRAMEN1
SCHEMBL7054052 0.79 NR3C1 (0.74) NR3C1THRBTHRA
SCHEMBL7053405 0.79 NR3C1 (0.68) NR3C1MAPTTHRBTHRALMNA
SCHEMBL7054486 0.79 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7052767 0.78 NR3C1 (0.62) NR3C1MAPTTHRBTHRAMEN1

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 3 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
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