SCHEMBL10693596

SCHEMBL10693596

CC(C)(CC=O)OC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.42
SYK P43405 1/20 0.40

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
SCHEMBL6645967 0.80 ALDH1A1 (0.58) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
Formaldehyde SCHEMBL28515264 0.80 ALDH1A1 (0.50) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
SCHEMBL2152465 0.78 ALDH1A1 (0.51) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
Formaldehyde SCHEMBL28511632 0.78 ALDH1A1 (0.47) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
Formaldehyde SCHEMBL28513707 0.78 ALDH1A1 (0.55) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
SCHEMBL22775989 0.77 TSHR (0.40) ALDH1A1HCAR2SMN1; SMN2
SCHEMBL14483861 0.76 ALDH1A1 (0.53) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
SCHEMBL17996061 0.76 ALDH1A1 (0.51) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1
Formaldehyde SCHEMBL28517367 0.75 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29816025 0.75 ALDH1A1 (0.47) ALDH1A1HCAR2SMN1; SMN2TDP1MAPK1

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
EP-0256812-A2 Process for separation of N-protected alpha-L-aspartyl-L-phenylalanines Ajinomoto Co., Inc. (JP) 1988-02-24 EP disclosed