SCHEMBL8907288

SCHEMBL8907288

CN(C)c1ccc(OCC(=O)O)cc1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 4/20 0.55
HTT P42858 2/20 0.55
PPARD Q03181 2/20 0.54
ALDH1A1 P00352 5/20 0.53
FFAR1 O14842 1/20 0.51
TSHR P16473 1/20 0.51
NR4A1 P22736 1/20 0.51
APEX1 P27695 1/20 0.51
MEN1 O00255 1/20 0.50
PTPN7 P35236 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NOX1 Q9Y5S8 1/20 0.49
HDAC1 Q13547 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL2020282 0.83 HSD17B3 (0.67) SMN1; SMN2MAPTHTTALDH1A1MEN1
SCHEMBL339492 0.82 ALOX15 (0.81) ALOX15SMN1; SMN2MAPTPPARDALDH1A1
SCHEMBL25211873 0.80 MAOB (0.77) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25190661 0.80 MAOB (0.77) SMN1; SMN2MAPTMEN1KMT2A
Lithium Ion SCHEMBL8907286 0.80 MAPT (0.54) SMN1; SMN2MAPTHTTALDH1A1TSHR
SCHEMBL7996336 0.77 LMNA (0.63) ALOX15HTTALDH1A1FFAR1MEN1
SCHEMBL29955055 0.77 LMNA (0.63) ALOX15HTTALDH1A1FFAR1MEN1
SCHEMBL7307650 0.77 GAA (0.62) SMN1; SMN2MAPTHTTALDH1A1KDM4E
SCHEMBL503652 0.76 L3MBTL1 (0.66) ALOX15SMN1; SMN2MAPTALDH1A1FFAR1
SCHEMBL656832 0.76 LMNA (0.67) ALOX15SMN1; SMN2MAPTPPARDALDH1A1

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed