SCHEMBL8745407

SCHEMBL8745407

CCOC(=O)[C@@H](N)Cc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 5/20 0.59
THRB P10828 9/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 5/20 0.54
THRA P10827 5/20 0.54
USP2 O75604 4/20 0.54
HSD17B10 Q99714 3/20 0.54
TTR P02766 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
PDE4D Q08499 2/20 0.54
PPARG P37231 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
NR3C1 P04150 1/20 0.54
CYP1A2 P05177 1/20 0.54
HTR1A P08908 1/20 0.54
CYP2C9 P11712 1/20 0.54
TBXA2R P21731 1/20 0.54
NTSR1 P30989 1/20 0.54

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
SCHEMBL16416000 0.86 PCNA (0.79) PCNATHRBMEN1KMT2ALMNA
SCHEMBL9748040 0.85 THRB (0.74) PCNATHRBMEN1KMT2ALMNA
SCHEMBL9746882 0.85 THRB (0.74) PCNATHRBMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL10877383 0.84 THRB (0.73) PCNATHRBMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL10877373 0.84 THRB (0.73) PCNATHRBMEN1KMT2ALMNA
SCHEMBL8745456 0.84 PCNA (0.55) PCNATHRBMEN1KMT2ALMNA
SCHEMBL28094930 0.84 PCNA (0.55) PCNATHRBMEN1KMT2ALMNA
SCHEMBL7599255 0.81 PCNA (0.75) PCNATHRBMEN1KMT2ALMNA
SCHEMBL12866351 0.81 PCNA (0.75) PCNATHRBMEN1KMT2ALMNA
SCHEMBL3150323 0.81 LDHA (0.56) MEN1KMT2ALMNAHSD17B10PPARG

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-0612308-B1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH (DE) 1997-02-05 EP disclosed
EP-0612308-A1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES. HENNING BERLIN GMBH (DE) 1994-08-31 EP disclosed
WO-1993009076-A1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH CHEMIE- UND PHARMAWERK (DE) 1993-05-13 WO disclosed