SCHEMBL7590775

SCHEMBL7590775

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TYMP P19971 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
SCHEMBL7595493 0.89 CYP2C19 (0.36) LMNACYP2C19HIF1ATYMP
SCHEMBL681515 0.84 LMNA (0.50) LMNACYP2C19HIF1ATYMP
SCHEMBL7591117 0.82
SCHEMBL7596538 0.79 LMNA (0.49) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL11132766 0.78 LMNA (0.48) LMNACYP2C19HIF1ATYMP
SCHEMBL9843094 0.78 LMNA (0.46) LMNACYP2C19HIF1ATYMP
SCHEMBL7592499 0.78 CA2 (0.31)
SCHEMBL11202227 0.77 LMNA (0.43) LMNACYP2C19HIF1ATYMP
SCHEMBL9787640 0.76 LMNA (0.55) LMNACYP2C19HIF1ATYMP
SCHEMBL19261486 0.76 LMNA (0.47) LMNACYP2C19HIF1ATYMP

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