SCHEMBL8760922

SCHEMBL8760922

NCCC(O)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCAR2 Q8TDS4 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
SCHEMBL2027300 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11631912 0.82 LMNA (0.58) KMT2AL3MBTL1MEN1CA12CA1
SCHEMBL30441853 0.82 TDP1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL9629603 0.81 SMN1; SMN2 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL25576433 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL25212066 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL27484782 0.76 SMN1; SMN2 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL10855143 0.76 SMN1; SMN2 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL10855149 0.76 SMN1; SMN2 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL27552966 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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
EP-0767832-A1 CHIRAL SYNTHESIS OF 2-HYDROXY CARBOXYLIC ACIDS WITH A DEHYDROGENASE Genzyme Limited (GB) 1997-04-16 EP disclosed
WO-1996001892-A1 CHIRAL SYNTHESIS OF 2-HYDROXY CARBOXYLIC ACIDS WITH A DEHYDROGENASE GENZYME LIMITED (GB) 1996-01-25 WO disclosed