SCHEMBL7591103

SCHEMBL7591103

CC(=O)OCc1c(I)c(N)c(I)c(C(=O)NCCO)c1I

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CA2 P00918 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
SCHEMBL7591975 0.90 MEN1 (0.38) KDM4EALDH1A1HSD17B10CA2
SCHEMBL7596538 0.84 LMNA (0.49) LMNACYP2C19HIF1ACA2
SCHEMBL7592030 0.81
SCHEMBL7592020 0.81 LMNA (0.43) LMNACYP2C19HIF1A
SCHEMBL10621991 0.80 ALDH1A1 (0.42) MMP13KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL11381319 0.80 ALDH1A1 (0.42) MMP13KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL7592114 0.79 CA2 (0.30) CA2
SCHEMBL6227052 0.79 LMNA (0.37) ALDH1A1LMNAHIF1ACA2
SCHEMBL7587993 0.78 ABCB1 (0.34) LMNACYP2C19HIF1A
SCHEMBL7590130 0.78 LMNA (0.33) 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 3 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
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed