SCHEMBL7588474

SCHEMBL7588474

CC(=O)OCc1c(I)c(N)c(I)c(C(=O)O)c1I.Nc1c(I)c(CO)c(I)c(C(=O)O)c1I

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CA2 P00918 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
SCHEMBL6227052 0.94 LMNA (0.37) LMNAALDH1A1CA2
SCHEMBL7588477 0.87 CA2 (0.31) CA2
SCHEMBL6226038 0.84 LMNA (0.36) LMNA
SCHEMBL7593762 0.81 CA2 (0.41) LMNAALDH1A1CA2
SCHEMBL7595385 0.81 CA2 (0.41) LMNAALDH1A1CA2
SCHEMBL7594746 0.81 CA2 (0.34) ALDH1A1CA2
SCHEMBL8418054 0.79 CA2 (0.42) LMNAALDH1A1CA2
SCHEMBL7592499 0.78 CA2 (0.31) CA2
SCHEMBL7591103 0.77 MMP13 (0.33) LMNAALDH1A1CA2
SCHEMBL7592030 0.76

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
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed