SCHEMBL8824741

SCHEMBL8824741

O=C(c1c(I)c(I)c(C(=O)N(CC(O)C(O)C(O)CO)CC(O)C(O)C(O)CO)c(I)c1I)N(CC(O)C(O)C(O)CO)CC(O)C(O)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL8824849 0.89 LMNA (0.31) LMNASMN1; SMN2
SCHEMBL8824734 0.88 CYP2C19 (0.32) LMNA
SCHEMBL8144303 0.80 CYP2C19 (0.52) LMNASMN1; SMN2
SCHEMBL7131710 0.70 LMNA (0.38) LMNAL3MBTL1PDE4ASMN1; SMN2TDP1
SCHEMBL29335645 0.65 LMNA (0.50) LMNAL3MBTL1PDE4ATDP1USP2
Adonitol SCHEMBL29012527 0.63 LMNA (0.62) LMNAL3MBTL1PDE4ATDP1USP2
Iosimide SCHEMBL898150 0.63 CA2 (0.33) L3MBTL1
Xylitol SCHEMBL1924966 0.63 LMNA (0.83) LMNAL3MBTL1PDE4ATDP1USP2
Xylitol SCHEMBL5273838 0.63 LMNA (0.83) LMNAL3MBTL1PDE4ATDP1USP2
Xylitol SCHEMBL4599492 0.63 LMNA (0.83) LMNAL3MBTL1PDE4ATDP1USP2

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-5693311-A Polyiodinated compounds, process for preparing them and diagnostic compositions GUERBET S.A. (FR) 1997-12-02 US disclosed