SCHEMBL8418099

SCHEMBL8418099

COC(=O)c1cc(C(O)CO)cc([N+](=O)[O-])c1.O=C(NCC(O)CO)c1cc(C(O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL7591779 0.92 GAA (0.43) GAAHTTALDH1A1LMNAMEN1
SCHEMBL28268057 0.91 GAA (0.66) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL7589132 0.88 GAA (0.54) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL8416686 0.86 MAPT (0.43) GAAHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10620309 0.82 ALDH1A1 (0.50) GAAHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6865356 0.82 GAA (0.51) GAAHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8417926 0.80 GAA (0.46) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL7594424 0.78 GAA (0.46) GAAHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11267996 0.78 GAA (0.52) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL8374395 0.78 GAA (0.48) GAAHTTSMN1; SMN2ALDH1A1LMNA

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