SCHEMBL5283377

SCHEMBL5283377

CC(=O)Oc1cc(Br)c(Oc2cc(Br)c(O)c(Br)c2)c(Br)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
ALOX15 P16050 3/20 0.37
ALOX12 P18054 3/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 2/20 0.36
CFD P00746 2/20 0.35
AKR1B1 P15121 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 1/20 0.33
BACE1 P56817 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TNFSF11 O14788 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5282022 0.85 BACE1 (0.48) THRATHRBPOLBCFDKDM4E
SCHEMBL5277949 0.85 THRA (0.43) THRATHRBPOLBCFDKDM4E
SCHEMBL5278041 0.83 ERN1 (0.34) THRATHRBPOLBPPARGKDM4E
SCHEMBL5281233 0.83 THRA (0.50) THRATHRB
SCHEMBL5282613 0.82 CFD (0.42) ALOX15POLBCFDAKR1B1KDM4E
SCHEMBL5279150 0.82 THRA (0.40) THRATHRBPOLBKDM4E
SCHEMBL5291072 0.79 THRA (0.46) THRATHRB
SCHEMBL5288578 0.78 ERN1 (0.44) THRATHRBERN1
SCHEMBL5281913 0.78 THRA (0.59) THRATHRB
SCHEMBL5285430 0.78 THRA (0.41) THRATHRBPOLB

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