SCHEMBL7587266

SCHEMBL7587266

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.55
THRB P10828 17/20 0.39
THRA P10827 15/20 0.39
NR1H4 Q96RI1 1/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7249537 0.88 NR3C1 (0.70) NR3C1THRBTHRA
SCHEMBL7250938 0.88 NR3C1 (0.57) NR3C1THRBTHRAALOX15TSHR
SCHEMBL7549354 0.86 NR3C1 (0.50) NR3C1THRBTHRANR1H4
SCHEMBL7549755 0.86 NR3C1 (0.50) NR3C1THRBTHRANR1H4
SCHEMBL7577562 0.85 NR3C1 (0.49) NR3C1THRBTHRANR1H4
SCHEMBL7549161 0.85 NR3C1 (0.49) NR3C1THRBTHRA
SCHEMBL7250975 0.85 NR3C1 (0.54) NR3C1THRBTHRA
SCHEMBL7553498 0.83 NR3C1 (0.52) NR3C1THRBTHRA
SCHEMBL7255589 0.83 NR3C1 (0.57) NR3C1THRBTHRA
SCHEMBL7250343 0.82 NR3C1 (0.57) 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 disclosed