SCHEMBL7684969

SCHEMBL7684969

COc1ccccc1Oc1cc(C(=O)c2cccc(C)c2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.88
THRB P10828 15/20 0.43
THRA P10827 13/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 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
SCHEMBL5632584 0.94 NR3C1 (1.00) NR3C1THRBTHRA
SCHEMBL5631912 0.88 NR3C1 (0.85) NR3C1THRBTHRA
SCHEMBL7050844 0.88 NR3C1 (0.85) NR3C1THRBTHRANPC1RAB9A
SCHEMBL7052325 0.87 NR3C1 (0.84) NR3C1THRBTHRA
SCHEMBL5631238 0.87 NR3C1 (0.81) NR3C1THRBTHRAPOLB
SCHEMBL5632860 0.86 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7250408 0.86 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL5630623 0.86 NR3C1 (0.85) NR3C1THRBTHRANPC1RAB9A
SCHEMBL5631737 0.86 NR3C1 (0.81) NR3C1THRBTHRA
SCHEMBL7054470 0.86 NR3C1 (0.84) 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