SCHEMBL6053183

SCHEMBL6053183

CC(=O)Oc1cc(I)cc(I)c1Oc1ccc(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.51
PCNA P12004 8/20 0.51
THRA P10827 8/20 0.51
LMNA P02545 4/20 0.51
POLB P06746 3/20 0.51
HIF1A Q16665 3/20 0.51
ABCB11 O95342 2/20 0.51
GABRA1 P14867 2/20 0.51
PPARG P37231 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL7086473 0.84 THRB (0.61) THRBPCNATHRALMNAPOLB
SCHEMBL6535482 0.82 LMNA (0.40) LMNAPOLBHPGDSMN1; SMN2MEN1
SCHEMBL7114999 0.77 THRB (0.49) THRBPCNATHRALMNAPOLB
SCHEMBL16124484 0.72 THRB (0.77) THRBPCNATHRALMNAPOLB
Acetiromate SCHEMBL31231307 0.71 TSHR (0.49) THRBPCNATHRALMNAPOLB
Acetiromate SCHEMBL2110761 0.71 TSHR (0.49) THRBPCNATHRALMNAPOLB
SCHEMBL9748136 0.71 THRB (0.67) THRBPCNATHRALMNAPOLB
SCHEMBL14575001 0.70 THRB (0.54) THRBPCNATHRALMNAPOLB
SCHEMBL3227547 0.69 THRB (0.60) THRBPCNATHRALMNAPOLB
SCHEMBL16124483 0.68 THRB (0.81) THRBPCNATHRALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173163-B1 PHARMACEUTICAL COMPOSITIONS OF TETRAC AND METHODS OF USE THEREOF DANFORTH ELLIOT JR (US) 2006-06-21 EP disclosed
US-20040220269-A1 Pharmaceutical compositions of tetrac and methods of use thereof BEARTOWNPHARMA, INC. 2004-11-04 US disclosed
US-6740680-B1 SUPPRESSING THYROID STIMULATING HORMONE (TSH) SECRETION WITHOUT PITUITARY SPECIFIC MONODEIODINASE TYPE II INHIBITION BECTON PHARMA, INC. 2004-05-25 US disclosed