SCHEMBL7595206

SCHEMBL7595206

CC(=O)OCCC(=O)Nc1c(I)c(CCC(=O)O)c(I)c(NC(=O)CCOC(C)=O)c1I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7594233 0.87 SMN1; SMN2 (0.41) LMNAALDH1A1NPC1RAB9A
SCHEMBL8415132 0.80 SMN1; SMN2 (0.36) ALDH1A1NPC1RAB9A
SCHEMBL8416636 0.79 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL7591976 0.77 SMN1; SMN2 (0.32) ALDH1A1NPC1RAB9A
SCHEMBL7589131 0.74 HDAC3 (0.34) LMNA
SCHEMBL8415016 0.69 SMN1; SMN2 (0.36) ALDH1A1NPC1RAB9A
SCHEMBL8416621 0.69 HDAC3 (0.31)
SCHEMBL468689 0.67
SCHEMBL5571787 0.67 CYP2C19 (0.38) TSHRMAPK1ALDH1A1CYP2C19
SCHEMBL8342120 0.66 LMNA (0.47) LMNATSHRMAPK1ALDH1A1NPC1

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 1 patent. 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