SCHEMBL7073649

SCHEMBL7073649

COc1c(C)cc(CC(=O)O)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.61
THRA P10827 14/20 0.56
PPARG P37231 1/20 0.50
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
TPMT P51580 1/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL7220499 0.90 THRB (0.69) THRBTHRAPPARGHSD17B10ALOX15
SCHEMBL287411 0.89 THRB (0.49) THRBTHRAPPARGTSHR
SCHEMBL7952084 0.84 THRA (0.58) THRBTHRAHSD17B10ALOX15TSHR
SCHEMBL11157934 0.81 GAA (0.54) THRBHSD17B10ALOX15TSHR
SCHEMBL19679636 0.80 THRB (0.53) THRBTHRAPPARGHSD17B10TSHR
SCHEMBL1302320 0.80 THRB (0.56) THRBTHRAPPARGHSD17B10ALOX15
SCHEMBL7796619 0.78 NR1H4 (0.45) THRBTHRAPPARGTSHR
SCHEMBL15026095 0.77 THRB (0.53) THRBTHRAPPARGHSD17B10TSHR
SCHEMBL5859452 0.76 THRB (0.62) THRBTHRAPPARG
SCHEMBL28033890 0.76 THRB (0.50) THRBTHRAPPARGHSD17B10TSHR

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-1000008-B1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KAROBIO AB (SE) 2003-06-25 EP disclosed
US-6465687-B1 SUBSTITUTED 4-HYDROXY-3-ALKYL- OR CYCLOALKYL-PHENOXYBENZENE COMPOUNDS SUCH AS 3,5-DIBROMO-4-(4-HYDROXY-3-ISOPROPYLPHENOXY)BENZOIC ACID, EXPRESSION INHIBITION OF A T3 REGULATED GENE KARO BIO AB (SE) 2002-10-15 US disclosed
EP-1000008-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 2000-05-17 EP disclosed
WO-1999000353-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 1999-01-07 WO disclosed