SCHEMBL27736638

SCHEMBL27736638

CN(N)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
FOLH1 Q04609 1/20 0.33
BHMT Q93088 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 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
SCHEMBL27736639 1.00 TDP1 (0.40) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL27460720 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL196268 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL7536347 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL19741547 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL196267 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL6006627 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL24587885 0.79 BMP1 (0.35) TDP1SLC22A6GABRR1LMNACACNA2D1
SCHEMBL8657671 0.79 SLC1A1 (0.40) ALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL10337417 0.78 TDP1 (0.42) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1

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
CN-101239924-A Method for preparing functionality amino acid UNIV ZHEJIANG (CN) 2008-08-13 CN claimed
CN-101239924-B Method for preparing functionality amino acid UNIV ZHEJIANG 2011-05-04 CN disclosed
CN-101239924-A Method for preparing functionality amino acid UNIV ZHEJIANG (CN) 2008-08-13 CN disclosed