SCHEMBL7589656

SCHEMBL7589656

CC(=O)OCc1c(I)c(NC(=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(I)c(NC(=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c1I

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
PGD P52209 1/20 0.39
ABCB1 P08183 1/20 0.32

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
SCHEMBL7592880 0.97 POLB (0.42) POLBMAPK1TDP1PGDABCB1
SCHEMBL7592065 0.86 POLB (0.36) POLBMAPK1TDP1PGD
SCHEMBL7595386 0.85 POLB (0.35) POLBMAPK1TDP1PGDABCB1
SCHEMBL3026389 0.82 POLB (0.42) POLBMAPK1TDP1PGDABCB1
SCHEMBL3024742 0.79 POLB (0.40) POLBMAPK1TDP1PGD
SCHEMBL6228292 0.76 LMNA (0.33)
SCHEMBL7592606 0.75 LMNA (0.37) POLBMAPK1TDP1
SCHEMBL6228009 0.75 LMNA (0.44)
SCHEMBL3029790 0.74 POLB (0.36) POLBMAPK1TDP1PGD
SCHEMBL7591433 0.72 LMNA (0.33) TDP1

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-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed