SCHEMBL8752124

SCHEMBL8752124

CCCC(OC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)OC(CCC)C(=O)OCC)c1I)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
NLRP3 Q96P20 1/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
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
SCHEMBL8752120 0.93 LMNA (0.38) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL6358283 0.90 LMNA (0.40) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL8726308 0.90 LMNA (0.41) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL8752131 0.83 LMNA (0.42) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL371082 0.81 LMNA (0.46) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL8814469 0.80 LMNA (0.50) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL333577 0.80 LMNA (0.45) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL9076702 0.79 LMNA (0.44) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL332859 0.77 LMNA (0.54) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL332722 0.77 LMNA (0.42) LMNASMN1; SMN2HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766663-A1 2,4,6-TRIIODO-5-SUBSTITUTED-AMINO-ISOPHTHALATE ESTERS USEFUL AS X-RAY CONTRAST AGENTS FOR MEDICAL DIAGNOSTIC IMAGING NanoSystems L.L.C. (US) 1997-04-09 EP claimed
WO-1996000210-A1 2,4,6-TRIIODO-5-SUBSTITUTED-AMINO-ISOPHTHALATE ESTERS USEFUL AS X-RAY CONTRAST AGENTS FOR MEDICAL DIAGNOSTIC IMAGING NANOSYSTEMS L.L.C. (US) 1996-01-04 WO claimed
US-5670136-A 2,4,6-triiodo-5-substituted-amino-isophthalate esters useful as x-ray contrast agents for medical diagnostics imaging NAHOSYSTEMS L.L.C. (US) 1997-09-23 US disclosed
EP-0766663-A1 2,4,6-TRIIODO-5-SUBSTITUTED-AMINO-ISOPHTHALATE ESTERS USEFUL AS X-RAY CONTRAST AGENTS FOR MEDICAL DIAGNOSTIC IMAGING NanoSystems L.L.C. (US) 1997-04-09 EP disclosed
WO-1996000210-A1 2,4,6-TRIIODO-5-SUBSTITUTED-AMINO-ISOPHTHALATE ESTERS USEFUL AS X-RAY CONTRAST AGENTS FOR MEDICAL DIAGNOSTIC IMAGING NANOSYSTEMS L.L.C. (US) 1996-01-04 WO disclosed