SCHEMBL9063391

SCHEMBL9063391

Nc1cc(OCC(=O)O)c(OCC(=O)O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.50
TDP1 Q9NUW8 3/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
PLAU P00749 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8905331 0.79 PTGDR2 (0.66) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL8020954 0.78 ALDH1A1 (0.56) PTGDR2TDP1POLBSMN1; SMN2GLA
Hydrochloric Acid SCHEMBL8484286 0.78 PTGDR2 (0.64) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL10595469 0.78 PTGDR2 (0.59) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL29835046 0.78 PTGDR2 (0.64) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL214008 0.78 PTGDR2 (0.64) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL2981438 0.77 L3MBTL1 (0.61) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL8599242 0.77 TDP1 (0.53) PTGDR2TDP1PKMMAPTKDM4E
Hydrochloric Acid SCHEMBL28833707 0.77 PTGDR2 (0.62) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL18155129 0.75 PTPN7 (0.58) TDP1SMN1; SMN2L3MBTL1ALOX15MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575139-B1 Fluorogenic reagents for detection of glycoconjugates alpha-ketoacids and diketones INDIANA UNIVERSITY FOUNDATION (US) 1996-10-23 EP disclosed
US-5310682-A Fluorogenic reagents for detection of glycoconjugates, α-ketoacids and diketones INDIANA UNIVERSITY FOUNDATION (US) 1994-05-10 US disclosed
EP-0575139-A1 Fluorogenic reagents for detection of glycoconjugates alpha-ketoacids and diketones INDIANA UNIVERSITY FOUNDATION (US) 1993-12-22 EP disclosed