SCHEMBL9009211

SCHEMBL9009211

CC(=O)OCC(CNC(=O)c1c(I)cc(I)c([C]=O)c1I)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AR P10275 1/20 0.31
SERPINE1 P05121 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5484159 0.90 ABCB1 (0.42) ABCB1POLBMAPK1TDP1AR
SCHEMBL7986005 0.84 ABCB1 (0.39) ABCB1POLBMAPK1TDP1AR
SCHEMBL11387672 0.83 ABCB1 (0.38) ABCB1POLBMAPK1TDP1AR
SCHEMBL1360947 0.76 LMNA (0.36) ABCB1TDP1AR
SCHEMBL9515975 0.75 ABCB1 (0.37) ABCB1TDP1ARGAA
SCHEMBL8375500 0.75 ABCB1 (0.37) ABCB1TDP1ARGAA
SCHEMBL1359798 0.75 LMNA (0.38) ABCB1TDP1ARGAA
SCHEMBL13087121 0.73 LMNA (0.34) ABCB1TDP1AR
SCHEMBL8379840 0.73 LMNA (0.39) ABCB1TDP1ARGAA
SCHEMBL12137490 0.73 LMNA (0.37) ABCB1TDP1ARGAA

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-0571593-B1 NEW NON IONIC IODIZED AGENTS FOR X-RAY CONTRASTING, METHOD FOR PREPARING THEM AND GALENICAL COMPOSITIONS CONTAINING THEM INVEST JUSTESA IMAGEN S A CENT (ES) 1996-10-30 EP disclosed