SCHEMBL5283381

SCHEMBL5283381

COC(=O)Cc1cc(Br)c(Oc2cc(Br)c(O)c(Br)c2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.52
THRB P10828 17/20 0.52
PPARG P37231 3/20 0.52
HSP90AB1 P08238 1/20 0.50
TRPV1 Q8NER1 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL2786552 0.87 HSP90AB1 (0.63) THRATHRBPPARGHSP90AB1TRPV1
SCHEMBL5282025 0.85 THRB (0.52) THRATHRBHSP90AB1
SCHEMBL5277954 0.84 THRB (0.60) THRATHRBPPARGHSP90AB1
SCHEMBL5280260 0.83 THRB (0.68) THRATHRBPPARGITGB3ITGAV
SCHEMBL28680697 0.82 HSP90AB1 (0.56) THRATHRBHSP90AB1
SCHEMBL5281234 0.81 THRA (0.70) THRATHRBPPARG
SCHEMBL5278045 0.81 THRB (0.48) THRATHRBPPARGHSP90AB1ITGB3
SCHEMBL1525224 0.80 HSP90AB1 (0.54) HSP90AB1TRPV1
SCHEMBL5279153 0.80 THRB (0.55) THRATHRB
SCHEMBL29961027 0.80 HSP90AB1 (0.58) THRATHRBPPARGHSP90AB1TRPV1

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