SCHEMBL7589586

SCHEMBL7589586

CC(=O)OCc1c(I)c(N)c(I)c(C(=O)NC(CO)C(O)CO)c1I

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL7592020 0.85 LMNA (0.43) LMNACYP2C19HIF1A
SCHEMBL8074434 0.84 LMNA (0.35) LMNA
SCHEMBL7596538 0.81 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL7590130 0.81 LMNA (0.33) LMNA
SCHEMBL7587900 0.80 TDP1 (0.36)
Malonic Acid SCHEMBL11130343 0.77 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL7591103 0.77 MMP13 (0.33) LMNACYP2C19HIF1A
SCHEMBL9843007 0.76 LMNA (0.37) LMNA
SCHEMBL7592030 0.76
SCHEMBL7591975 0.74 MEN1 (0.38)

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