SCHEMBL8995619

SCHEMBL8995619

CCOC(=O)OC(C)OC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 2/20 0.32
TP53 P04637 2/20 0.32
HTR7 P34969 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2B P41595 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
SCHEMBL8995623 0.91 LMNA (0.37) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL8995703 0.87 LMNA (0.43) LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL21656702 0.86 LMNA (0.41) LMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL333577 0.85 LMNA (0.45) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL371082 0.83 LMNA (0.46) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL15647665 0.83 LMNA (0.39) LMNASMN1; SMN2TSHR
SCHEMBL332859 0.82 LMNA (0.54) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL8752131 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL9076702 0.81 LMNA (0.44) LMNASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL9413251 0.79 LMNA (0.54) LMNASMN1; SMN2ALDH1A1TSHRHPGD

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-5559266-A Iodinated esters NYCOMED IMAGING AS (NO) 1996-09-24 US disclosed
US-5416223-A Iodinated esters NYCOMED IMAGING AS (NO) 1995-05-16 US disclosed
US-5370861-A Iodinated esters contrast medium and use NYCOMED IMAGING AS (NO) 1994-12-06 US disclosed
EP-0452377-B1 IODINATED ESTERS NYCOMED IMAGING AS (NO) 1994-09-21 EP disclosed