SCHEMBL11588776

SCHEMBL11588776

CN(CC(=O)O)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
AOC3 Q16853 9/20 0.47
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43

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
SCHEMBL10788440 0.84 KDM4E (0.59) GAAAOC3KDM4EALDH1A1ADRA2A
SCHEMBL4272149 0.82 MEN1 (0.45) GAAMAOBGABBR2GABBR1
SCHEMBL11218815 0.80 LMNA (0.45) LMNAGABBR2GABBR1
SCHEMBL11797661 0.78 TRPM8 (0.47) AOC3MAOBLMNA
SCHEMBL516041 0.77 LMNA (0.42) KDM4ELMNAGABBR2GABBR1
SCHEMBL16656809 0.74 ALOX5 (0.52) GAAALOX5ADRA2A
SCHEMBL29268868 0.74 ADRA2B (0.58) AOC3KDM4EALDH1A1ADRA2C
SCHEMBL7374917 0.74 CCR5 (0.45) GAAALOX5KDM4E
SCHEMBL17931631 0.74 MAOB (0.74) MAOBADRA2AADRA2C
SCHEMBL10441970 0.74 MAOB (0.74) MAOBADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4091088-A Phenolic amino-carboxylic acid complexes for forming radiopharmaceuticals AUSTRALIAN ATOMIC ENERGY COMMISSION (AU) 1978-05-23 US claimed
US-4088747-A Phenolic amino-carboxylic acid radiopharmaceuticals AUSTRALIAN ATOMIC ENERGY COMMISSION (AU) 1978-05-09 US claimed