SCHEMBL8948812

SCHEMBL8948812

COC(=O)CCCC(=O)N(C)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM5A P29375 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
LTA4H P09960 1/20 0.31
GLA P06280 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
SCHEMBL8948721 0.85 SLC22A6 (0.35) TSHRKDM5ALMNA
SCHEMBL11632881 0.82 SLC22A6 (0.35) TSHRKDM5ALMNA
SCHEMBL11631931 0.77 MEN1 (0.45) TSHRMEN1KMT2AL3MBTL1LMNA
SCHEMBL11275798 0.77 HSD17B10 (0.32) ALDH1A1MAPTHPGD
SCHEMBL11635038 0.77 LMNA (0.32) LMNA
SCHEMBL11635913 0.76 PHF8 (0.31)
SCHEMBL11631451 0.75 TSHR (0.45) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL11630537 0.74 TSHR (0.44) TSHRMEN1KMT2AMAPTHPGD
SCHEMBL8948705 0.74 MEN1 (0.56) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL11634546 0.73 LMNA (0.51) KDM5ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569446-A Radiohalogenation of proteins using trihalophenyl derivatives BRACCO INTERNATIONAL B.V. 1996-10-29 US disclosed
US-5463080-A 2,4,6-triiodo-1,3-benzenedicarboxylic acid compounds used as radiolabelling reagents BRACCO INTERNATIONAL B.V. (NL) 1995-10-31 US disclosed