SCHEMBL7595680

SCHEMBL7595680

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 3/20 0.36

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
SCHEMBL7589247 0.91 CYP2C19 (0.37) CYP2C19HIF1ALMNA
SCHEMBL7591094 0.88 LMNA (0.32) LMNA
SCHEMBL7595662 0.85 LMNA (0.43) CYP2C19HIF1ALMNA
SCHEMBL7594419 0.82 LMNA (0.31) CYP2C19HIF1ALMNA
SCHEMBL7589285 0.79 LMNA (0.41) LMNA
SCHEMBL7593927 0.77 CYP2C19 (0.39) CYP2C19HIF1ALMNA
SCHEMBL7596632 0.75 LMNA (0.51) CYP2C19HIF1ALMNA
SCHEMBL7770197 0.72 LMNA (0.30) CYP2C19HIF1ALMNA
SCHEMBL7589733 0.72 LMNA (0.38) LMNA
SCHEMBL7595496 0.72 LMNA (0.38) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US claimed
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed