SCHEMBL7590171

SCHEMBL7590171

CC(=O)OCCN(CCOC(C)=O)C(=O)c1c(I)c(COC(C)=O)c(I)c(NC(=O)COC(C)=O)c1I

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
PKM P14618 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
SCHEMBL7589122 0.82 LMNA (0.36) ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL7591484 0.81 LMNA (0.31) LMNA
SCHEMBL7589252 0.78 CA2 (0.31)
SCHEMBL7591666 0.77 LMNA (0.43) ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL7592786 0.77
SCHEMBL7594174 0.77 ALDH1A1 (0.36) ALDH1A1HSD17B10LMNASMN1; SMN2HPGD
SCHEMBL7592790 0.76 LMNA (0.39) ALDH1A1HSD17B10LMNASMN1; SMN2HPGD
SCHEMBL7592780 0.75 HCRTR1 (0.32)
SCHEMBL10455405 0.75 LMNA (0.40) ALDH1A1HSD17B10LMNASMN1; SMN2HPGD
SCHEMBL9451387 0.73 LMNA (0.43) ALDH1A1LMNASMN1; SMN2HPGDUSP2

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