SCHEMBL7594751

SCHEMBL7594751

O=C(NCC(O)CO)c1c(I)c(CO)c(I)c(NC(=O)C(CO)CO)c1I

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 6/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
CA2 P00918 1/20 0.31
BACE1 P56817 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
SCHEMBL9513706 0.91 LMNA (0.50) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL6226822 0.90 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7587928 0.89 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7592788 0.88 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7595621 0.88 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7593885 0.88 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7594162 0.87 LMNA (0.50) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7594734 0.87 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7592858 0.86 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7590729 0.86 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC

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