SCHEMBL7548997

SCHEMBL7548997

COc1cc(C(c2ccc(N(C)C)cc2)c2cccc(C)c2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.62
THRB P10828 18/20 0.42
THRA P10827 17/20 0.42

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
SCHEMBL7548926 0.91 NR3C1 (0.65) NR3C1THRBTHRA
SCHEMBL7549525 0.86 NR3C1 (0.63) NR3C1THRBTHRA
SCHEMBL7549351 0.85 NR3C1 (0.64) NR3C1THRBTHRA
SCHEMBL7546234 0.85 NR3C1 (0.64) NR3C1THRBTHRA
SCHEMBL7250359 0.84 NR3C1 (0.70) NR3C1THRBTHRA
SCHEMBL7249537 0.84 NR3C1 (0.70) NR3C1THRBTHRA
SCHEMBL7552714 0.84 NR3C1 (0.63) NR3C1THRBTHRA
SCHEMBL7549388 0.84 NR3C1 (0.63) NR3C1THRBTHRA
SCHEMBL7252350 0.84 NR3C1 (0.69) NR3C1THRBTHRA
SCHEMBL7256644 0.84 NR3C1 (0.69) 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 2 patents. 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
WO-2002044120-A1 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR III KARO BIO AB (SE) 2002-06-06 WO disclosed