SCHEMBL8416686

SCHEMBL8416686

Nc1cc(C(=O)NCC(O)CO)cc(C(O)CO)c1.O=C(NCC(O)CO)c1cc(C(O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.41
GAA P10253 3/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
ALOX5 P09917 1/20 0.37
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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 0.94 GAA (0.43) MAPTALDH1A1NPC1GAAATM
SCHEMBL7590944 0.89 KDM4E (0.43) ALDH1A1SMN1; SMN2NPC1GAALMNA
SCHEMBL8418099 0.86 GAA (0.56) MAPTALDH1A1SMN1; SMN2GAAATM
SCHEMBL8415185 0.84 GAA (0.41) MAPTALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL6865356 0.84 GAA (0.51) MAPTALDH1A1SMN1; SMN2GAAATM
SCHEMBL10620309 0.84 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2GAAATM
SCHEMBL11341597 0.80 CYP3A4 (0.55) MAPTALDH1A1SMN1; SMN2GAAATM
SCHEMBL8374395 0.80 GAA (0.48) MAPTALDH1A1SMN1; SMN2GAAATM
SCHEMBL8380052 0.80 KDM4E (0.44) ALDH1A1SMN1; SMN2NPC1GAALMNA
SCHEMBL905517 0.79 KDM4E (0.48) ALDH1A1SMN1; SMN2NPC1GAALMNA

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