SCHEMBL5285430

SCHEMBL5285430

COc1c(N)cc(Oc2c(Br)cc(OC(C)=O)c(C)c2Br)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.41
THRB P10828 12/20 0.41
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL5280883 0.87 THRA (0.40) THRATHRB
SCHEMBL5274822 0.84 THRA (0.37) THRATHRBPOLBGAA
SCHEMBL5283822 0.83 THRB (0.57) THRATHRB
SCHEMBL5281233 0.81 THRA (0.50) THRATHRB
SCHEMBL14264304 0.79 THRA (0.42) THRATHRB
SCHEMBL5281913 0.79 THRA (0.59) THRATHRB
SCHEMBL12312834 0.78 THRA (0.54) THRATHRB
SCHEMBL5291072 0.78 THRA (0.46) THRATHRB
SCHEMBL5283377 0.78 THRA (0.37) THRATHRBPOLB
SCHEMBL5282022 0.77 BACE1 (0.48) THRATHRBPOLBGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862450-A2 Novel compounds KARO BIO AB (SE) 2007-12-05 EP disclosed
EP-1537073-B1 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KAROBIO AB (SE) 2007-09-12 EP disclosed
EP-1537073-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2005-06-08 EP disclosed
WO-2004007430-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2004-01-22 WO disclosed