SCHEMBL7688523

SCHEMBL7688523

COc1cc(C(=O)c2cccc(C#Cc3ccccc3)c2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.79
THRB P10828 17/20 0.45
THRA P10827 15/20 0.45
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7050851 0.94 NR3C1 (0.75) NR3C1THRBTHRA
SCHEMBL7048666 0.92 NR3C1 (0.75) NR3C1THRBTHRA
SCHEMBL7054210 0.92 NR3C1 (0.75) NR3C1THRBTHRA
SCHEMBL7054321 0.92 NR3C1 (0.78) NR3C1THRBTHRA
SCHEMBL7052325 0.91 NR3C1 (0.84) NR3C1THRBTHRACYP1A2CYP2D6
SCHEMBL7054470 0.89 NR3C1 (0.84) NR3C1THRBTHRACYP1A2CYP2C19
SCHEMBL5632584 0.88 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL7054567 0.88 NR3C1 (0.83) NR3C1THRBTHRA
SCHEMBL7047606 0.88 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7050835 0.88 NR3C1 (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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