SCHEMBL6825207

SCHEMBL6825207

CC(C)Cc1cc(Oc2c(I)cc(C[C@H](N)C(=O)O)cc2I)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.75
THRA P10827 8/20 0.75
MEN1 O00255 6/20 0.75
KMT2A Q03164 6/20 0.75
LMNA P02545 5/20 0.75
PPARG P37231 3/20 0.75
PCNA P12004 2/20 0.75
CYP2D6 P10635 1/20 0.75
TSHR P16473 1/20 0.75
GABRP O00591 1/20 0.75
GABRD O14764 1/20 0.75
ABCB11 O95342 1/20 0.75
F2 P00734 1/20 0.75
GABRA1 P14867 1/20 0.75
GABRB1 P18505 1/20 0.75
GABRG2 P18507 1/20 0.75
GABRB3 P28472 1/20 0.75
ADORA1 P30542 1/20 0.75
GABRA5 P31644 1/20 0.75
GABRA3 P34903 1/20 0.75

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
Detrothyronine SCHEMBL8301 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
Detrothyronine SCHEMBL29383803 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
Liothyronine SCHEMBL29390909 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
Detrothyronine SCHEMBL29651848 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
Rathyronine SCHEMBL123365 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
Liothyronine SCHEMBL3287278 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
Liothyronine SCHEMBL8300 0.86 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL9170207 0.85 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL9619560 0.85 THRB (1.00) THRBTHRAMEN1KMT2ALMNA
SCHEMBL5545767 0.85 THRB (1.00) THRBTHRAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398024-A2 Uses for thyroid hormone compounds KARO BIO AB (SE) 2004-03-17 EP claimed