SCHEMBL28342193

SCHEMBL28342193

CCOC(=O)CC(=O)NN=C(C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20349183 1.00 MAPT (0.50) MAPTGAAMGAMSIMGAM2
SCHEMBL3853327 0.87 MAPT (0.68) MAPTGAAMGAMSIMGAM2
SCHEMBL3853323 0.87 MAPT (0.68) MAPTGAAMGAMSIMGAM2
SCHEMBL3853272 0.74 GAA (0.45) MAPTGAAMGAMSIMGAM2
Malonic Acid Diethyl Ester SCHEMBL27943809 0.70 GAA (0.88) MAPTGAAMGAMSIMGAM2
Malonic Acid Diethyl Ester SCHEMBL1331187 0.70 GAA (1.00) MAPTGAAMGAMSIMGAM2
Malonic Acid Diethyl Ester SCHEMBL1330550 0.70 GAA (1.00) MAPTGAAMGAMSIMGAM2
Malonic Acid Diethyl Ester SCHEMBL1864301 0.70 GAA (1.00) MAPTGAAMGAMSIMGAM2
Malonic Acid Diethyl Ester SCHEMBL8636 0.70 GAA (1.00) MAPTGAAMGAMSIMGAM2
Malonic Acid Diethyl Ester SCHEMBL1331824 0.70 GAA (1.00) MAPTGAAMGAMSIMGAM2

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
CN-110691598-A Metalloenzyme inhibitor compounds 赛列尼蒂治疗(百慕大)有限公司 2020-01-14 CN disclosed