SCHEMBL7594233

SCHEMBL7594233

CC(=O)OCC(=O)Nc1c(I)c(CCC(=O)O)c(I)c(NC(=O)COC(C)=O)c1I

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
FAAH O00519 1/20 0.32
GLS O94925 1/20 0.32
KLK6 Q92876 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
SCHEMBL8415132 0.91 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL7595206 0.87 LMNA (0.33) ALDH1A1NPC1RAB9ALMNA
SCHEMBL8416636 0.84 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL7591976 0.83 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL8415016 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL8342120 0.79 LMNA (0.47) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL7591398 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL22645203 0.76 LMNA (0.47) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL8415165 0.76
SCHEMBL7589131 0.75 HDAC3 (0.34) 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 7 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
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
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed