SCHEMBL7053031

SCHEMBL7053031

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

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.83
THRA P10827 17/20 0.48
THRB P10828 17/20 0.48
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
FFAR1 O14842 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
SCHEMBL7050568 0.92 NR3C1 (0.76) NR3C1THRATHRBCTNNB1WNT3A
SCHEMBL5632584 0.91 NR3C1 (1.00) NR3C1THRATHRB
SCHEMBL7050844 0.86 NR3C1 (0.85) NR3C1THRATHRBCTNNB1WNT3A
SCHEMBL5630623 0.86 NR3C1 (0.85) NR3C1THRATHRBCTNNB1WNT3A
SCHEMBL7684969 0.85 NR3C1 (0.88) NR3C1THRATHRBCTNNB1WNT3A
SCHEMBL7052439 0.84 NR3C1 (0.75) NR3C1THRATHRBCTNNB1WNT3A
SCHEMBL7055432 0.83 NR3C1 (0.73) NR3C1CTNNB1WNT3A
SCHEMBL5631912 0.83 NR3C1 (0.85) NR3C1THRATHRB
SCHEMBL7250252 0.83 NR3C1 (0.58) NR3C1THRATHRBESR1PGR
SCHEMBL7054470 0.83 NR3C1 (0.84) NR3C1THRATHRB

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