SCHEMBL8087902

SCHEMBL8087902

NC(=O)C(O)CC(=O)O.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.48
GABRR1 P24046 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.36
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
TET3 O43151 1/20 0.35
CACNA2D1 P54289 2/20 0.33
OR51E2 Q9H255 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
TSHR P16473 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL2163096 0.97
SCHEMBL2163267 0.97
SCHEMBL669938 0.97
Ammonia Solution, Strong SCHEMBL28121037 0.94 SMN1; SMN2 (0.57) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL8087904 0.80 LMNA (0.33) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Malic Acid SCHEMBL27657883 0.78 SMN1; SMN2 (0.83) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Glycine SCHEMBL9703259 0.77 GLRA1 (0.48) SMN1; SMN2SLC22A6GABRR1LMNATET2
Succinic Acid SCHEMBL8578421 0.77 LMNA (0.43) SMN1; SMN2SLC22A6GABRR1LMNATET2
Glycine SCHEMBL9394864 0.77 GLRA1 (0.48) SMN1; SMN2SLC22A6GABRR1LMNATET2
SCHEMBL3056738 0.77

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
JP-2000034260-A PRODUCTION OF MALIC ACID MONOAMIDES AND DETERGENT COMPOSITION CONTAINING THE SAME LION CORP 2000-02-02 JP disclosed