SCHEMBL7052900

SCHEMBL7052900

COc1cc(C(=O)c2cccc(Cl)c2)c(Oc2c(Br)cc(CC=O)cc2Br)cc1C(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.65
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LPAR1 Q92633 2/20 0.35
HPGD P15428 1/20 0.34
THRB P10828 7/20 0.34
THRA P10827 5/20 0.34
GRM5 P41594 1/20 0.34
CYP2C9 P11712 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RORC P51449 2/20 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
SCHEMBL7053492 0.90 NR3C1 (0.58) NR3C1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7054486 0.89 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7688423 0.88 NR3C1 (0.69) NR3C1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7054470 0.80 NR3C1 (0.84) NR3C1CYP1A2CYP3A4CYP2C19THRB
SCHEMBL7052325 0.79 NR3C1 (0.84) NR3C1CYP1A2CYP2C19HPGDTHRB
SCHEMBL7054567 0.79 NR3C1 (0.83) NR3C1THRBTHRA
SCHEMBL5632584 0.79 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL7681978 0.79 NR3C1 (0.71) NR3C1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL7051707 0.79 NR3C1 (0.74) NR3C1MAPTTHRBTHRA
SCHEMBL5630623 0.78 NR3C1 (0.85) NR3C1CYP1A2CYP3A4CYP2C19LPAR1

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