SCHEMBL8380655

SCHEMBL8380655

CC(=O)OCC(=O)Nc1c(I)c(NC(=O)Nc2c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7056140 0.94 LMNA (0.46) LMNAABCB1ALDH1A1CYP2C19HIF1A
SCHEMBL8375513 0.92 LMNA (0.41) LMNAABCB1ALDH1A1CYP2C19HIF1A
SCHEMBL8379840 0.91 LMNA (0.39) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL9317092 0.90 LMNA (0.43) LMNAABCB1ALDH1A1CYP2C19HIF1A
SCHEMBL28880451 0.90 LMNA (0.43) LMNAABCB1ALDH1A1CYP2C19HIF1A
SCHEMBL9009307 0.89 LMNA (0.43) LMNAABCB1ALDH1A1CYP2C19HIF1A
SCHEMBL7590487 0.89 LMNA (0.40) LMNAABCB1ALDH1A1SMN1; SMN2
SCHEMBL3384375 0.88 LMNA (0.54) LMNAABCB1ALDH1A1CYP2C19HIF1A
SCHEMBL8378374 0.86 LMNA (0.34) LMNAABCB1CYP2C19HIF1ATDP1
SCHEMBL12871782 0.85 LMNA (0.41) LMNAABCB1CYP2C19HIF1ATDP1

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
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed