SCHEMBL7590487

SCHEMBL7590487

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.31

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 0.92 LMNA (0.46) LMNAALDH1A1HSD17B10SMN1; SMN2ABCB1
SCHEMBL7589719 0.91 LMNA (0.44) LMNASMN1; SMN2ABCB1
SCHEMBL7594756 0.90 LMNA (0.36) LMNAABCB1
SCHEMBL8380655 0.89 LMNA (0.42) LMNAALDH1A1SMN1; SMN2ABCB1
SCHEMBL28880451 0.88 LMNA (0.43) LMNAALDH1A1SMN1; SMN2ABCB1
SCHEMBL9317092 0.88 LMNA (0.43) LMNAALDH1A1SMN1; SMN2ABCB1
SCHEMBL7588430 0.87 LMNA (0.34) LMNAABCB1
SCHEMBL8375513 0.87 LMNA (0.41) LMNAALDH1A1SMN1; SMN2ABCB1
SCHEMBL9009307 0.87 LMNA (0.43) LMNAALDH1A1SMN1; SMN2ABCB1
SCHEMBL7600638 0.86 ABCB1 (0.33) LMNAABCB1

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 4 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
WO-2000037115-A1 WATER-SOLUBLE CONTRAST MEDIA FOR X-RAY IMAGING NYCOMED IMAGING AS (NO) 2000-06-29 WO disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed