SCHEMBL7595386

SCHEMBL7595386

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ABCB1 P08183 1/20 0.34
LMNA P02545 3/20 0.33
PGD P52209 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7588430 0.88 LMNA (0.34) ABCB1LMNA
SCHEMBL7589719 0.88 LMNA (0.44) ABCB1LMNATDP1
SCHEMBL7594756 0.87 LMNA (0.36) ABCB1LMNA
SCHEMBL7591737 0.86 LMNA (0.33) ABCB1LMNA
SCHEMBL7589123 0.86 LMNA (0.33) LMNA
SCHEMBL7589656 0.85 POLB (0.42) POLBMAPK1ABCB1PGDTDP1
SCHEMBL7592880 0.85 POLB (0.42) POLBMAPK1ABCB1PGDTDP1
SCHEMBL7592065 0.85 POLB (0.36) POLBMAPK1LMNAPGDTDP1
SCHEMBL7590487 0.85 LMNA (0.40) ABCB1LMNA
SCHEMBL7591135 0.85 LMNA (0.32) LMNA

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