SCHEMBL7053353

SCHEMBL7053353

COc1cc(C(O)c2ccccc2)c(Oc2c(Br)cc(CCO)cc2Br)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.46
THRB P10828 10/20 0.39
THRA P10827 8/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RORC P51449 2/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7249278 0.86 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7050839 0.83 NR3C1 (0.48) NR3C1THRBTHRAKMT2AMEN1
SCHEMBL7250252 0.81 NR3C1 (0.58) NR3C1THRBTHRA
SCHEMBL7250267 0.80 NR3C1 (0.61) NR3C1THRBTHRA
SCHEMBL7250117 0.78 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7249537 0.78 NR3C1 (0.70) NR3C1THRBTHRA
SCHEMBL7052041 0.77 NR3C1 (0.37) NR3C1THRBTHRAKMT2AMEN1
SCHEMBL7251617 0.77 NR3C1 (0.59) NR3C1THRBTHRA
SCHEMBL7250218 0.77 NR3C1 (0.59) NR3C1THRBTHRA
SCHEMBL7549525 0.77 NR3C1 (0.63) NR3C1THRBTHRA

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 claimed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US claimed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed