SCHEMBL8416636

SCHEMBL8416636

CC(=O)OCC(=O)Nc1c(I)c(CCC(=O)O)c(I)c(NC(=O)COC(C)=O)c1I.CC(=O)OCCN(C(=O)COC(C)=O)c1c(I)c(CCC(=O)O)c(I)c(NC(=O)COC(C)=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7591976 0.99 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1USP2HPGDHSD17B10
SCHEMBL8415096 0.89
SCHEMBL7594233 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1USP2HPGDHSD17B10
SCHEMBL8415095 0.81
SCHEMBL8415165 0.81
SCHEMBL7596838 0.79
SCHEMBL7592831 0.79 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL7595206 0.79 LMNA (0.33) ALDH1A1
SCHEMBL8415132 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1USP2HPGDHSD17B10
SCHEMBL7591791 0.75

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
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed