SCHEMBL7549161

SCHEMBL7549161

COc1cc(C(c2cccc(C)c2)c2ccc(Br)cc2O)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.49
THRB P10828 18/20 0.39
THRA P10827 15/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7549354 0.90 NR3C1 (0.50) NR3C1THRBTHRA
SCHEMBL7546152 0.90 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7549755 0.88 NR3C1 (0.50) NR3C1THRBTHRA
SCHEMBL7577562 0.88 NR3C1 (0.49) NR3C1THRBTHRA
SCHEMBL7587266 0.85 NR3C1 (0.55) NR3C1THRBTHRA
SCHEMBL7545552 0.83 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7553582 0.83 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7547857 0.83 NR3C1 (0.61) NR3C1THRBTHRA
SCHEMBL7549286 0.82 NR3C1 (0.60) NR3C1THRBTHRA
SCHEMBL7549388 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002044120-A1 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR III KARO BIO AB (SE) 2002-06-06 WO claimed