SCHEMBL4560308

SCHEMBL4560308

CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2I)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.85
THRA P10827 14/20 0.85
ABCB11 O95342 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PGR P06401 1/20 0.61
POLB P06746 1/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
AR P10275 1/20 0.61
CYP2C9 P11712 1/20 0.61
PCNA P12004 1/20 0.61
GABRA1 P14867 1/20 0.61
HPGD P15428 1/20 0.61
RXRA P19793 1/20 0.61
HTR2A P28223 1/20 0.61
AGTR1 P30556 1/20 0.61
ADRA1A P35348 1/20 0.61

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
SCHEMBL282382 0.92 THRA (1.00) THRBTHRA
SCHEMBL29373235 0.92 THRA (1.00) THRBTHRA
SCHEMBL5545785 0.92 THRB (0.74) THRBTHRAABCB11LMNACYP1A2
SCHEMBL4558899 0.88 THRA (0.87) THRBTHRA
SCHEMBL13574304 0.88 THRB (0.68) THRBTHRAABCB11LMNACYP1A2
SCHEMBL7069849 0.87 THRA (0.85) THRBTHRA
SCHEMBL4560316 0.87 THRA (0.85) THRBTHRA
SCHEMBL19057792 0.82 THRB (0.82) THRBTHRA
SCHEMBL7073126 0.81 THRA (0.76) THRBTHRA
SCHEMBL4561125 0.81 THRA (0.74) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1000008-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 2000-05-17 EP claimed
WO-1999000353-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 1999-01-07 WO claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
WO-2009080223-A1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-07-02 WO 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