SCHEMBL5858371

SCHEMBL5858371

O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(I)c2)c(Br)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.78
THRA P10827 17/20 0.78
PCNA P12004 3/20 0.78
PPARG P37231 2/20 0.78
POLB P06746 2/20 0.78
HIF1A Q16665 2/20 0.78
ABCB11 O95342 1/20 0.78
LMNA P02545 1/20 0.78
CYP1A2 P05177 1/20 0.78
PGR P06401 1/20 0.78
CHRM2 P08172 1/20 0.78
HTR1A P08908 1/20 0.78
ADRA2A P08913 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
AR P10275 1/20 0.78
CYP2C9 P11712 1/20 0.78
GABRA1 P14867 1/20 0.78
HPGD P15428 1/20 0.78
RXRA P19793 1/20 0.78
HTR2A P28223 1/20 0.78

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
Tiratricol SCHEMBL30161572 0.87 THRB (1.00) THRBTHRAPCNAPPARGPOLB
Tiratricol SCHEMBL743426 0.87 THRB (1.00) THRBTHRAPCNAPPARGPOLB
Tiratricol SCHEMBL25149 0.87 THRB (1.00) THRBTHRAPCNAPPARGPOLB
Tiratricol SCHEMBL2671904 0.86 THRB (0.97) THRBTHRAPCNAPPARGPOLB
Tiratricol SCHEMBL8660328 0.86 THRB (0.97) THRBTHRAPCNAPPARGPOLB
Tiratricol SCHEMBL10701956 0.86 THRB (0.97) THRBTHRAPCNAPPARGPOLB
SCHEMBL5858756 0.83 THRB (0.62) THRBTHRAPCNAPPARGPOLB
SCHEMBL18573065 0.82 THRB (0.82) THRBTHRAPCNAPPARGPOLB
SCHEMBL5278593 0.81 THRB (0.80) THRBTHRAPPARG
SCHEMBL6471716 0.81 THRB (0.80) THRBTHRAPCNAPPARGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 US disclosed