SCHEMBL7054470

SCHEMBL7054470

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

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.84
THRB P10828 16/20 0.48
THRA P10827 14/20 0.48
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7052325 0.92 NR3C1 (0.84) NR3C1THRBTHRACYP1A2CYP2C19
SCHEMBL7054567 0.92 NR3C1 (0.83) NR3C1THRBTHRA
SCHEMBL5632584 0.92 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL7681978 0.92 NR3C1 (0.71) NR3C1THRBTHRACYP1A2CYP3A4
SCHEMBL7050835 0.91 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7047606 0.91 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7054486 0.91 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7688523 0.89 NR3C1 (0.79) NR3C1THRBTHRACYP1A2CYP2C19
SCHEMBL7251596 0.89 NR3C1 (0.79) NR3C1THRBTHRA
SCHEMBL7052045 0.88 NR3C1 (0.78) 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