SCHEMBL14485262

SCHEMBL14485262

N[C@@H](CC(=O)O)c1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.62
THRA P10827 8/20 0.62
PCNA P12004 8/20 0.62
LMNA P02545 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ABCB11 O95342 2/20 0.62
GABRA1 P14867 2/20 0.62
PPARG P37231 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
GABRP O00591 1/20 0.62
GABRD O14764 1/20 0.62
F2 P00734 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
ADORA1 P30542 1/20 0.62

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
SCHEMBL8729396 0.85 THRB (0.62) THRBTHRAPCNALMNAMEN1
SCHEMBL16416190 0.83 PCNA (0.47) THRBTHRAPCNALMNAMEN1
SCHEMBL8766647 0.82 KMT2A (0.43) THRBTHRAPCNALMNAMEN1
SCHEMBL3227547 0.77 THRB (0.60) THRBTHRAPCNALMNAMEN1
Detrothyronine SCHEMBL8301 0.77 THRB (1.00) THRBTHRAPCNALMNAMEN1
Detrothyronine SCHEMBL29651848 0.77 THRB (1.00) THRBTHRAPCNALMNAMEN1
Liothyronine SCHEMBL3287278 0.77 THRB (1.00) THRBTHRAPCNALMNAMEN1
Liothyronine SCHEMBL29390909 0.77 THRB (1.00) THRBTHRAPCNALMNAMEN1
Liothyronine SCHEMBL8300 0.77 THRB (1.00) THRBTHRAPCNALMNAMEN1
Rathyronine SCHEMBL123365 0.77 THRB (1.00) THRBTHRAPCNALMNAMEN1

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
WO-2013006734-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-01-10 WO disclosed