SCHEMBL29090809

SCHEMBL29090809

CC(=O)O[C@@]1(O)O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB1 P08183 12/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAPDH P04406 1/20 0.38

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
SCHEMBL6288284 0.85 MAPT (0.48) MAPTALDH1A1POLBMEN1USP2
SCHEMBL308252 0.84 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL308251 0.84 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL7746169 0.84 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL11075412 0.84 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL27514476 0.84 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL28604390 0.83 MAPT (0.57) MAPTALDH1A1POLBMEN1USP2
SCHEMBL8512700 0.81 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL9137960 0.81 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL8512702 0.81 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2

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-116908330-A Quantitative analysis method of 1-O-acetyl-2, 3, 5-tri-O-benzoyl-beta-D-ribose 浙江合糖科技有限公司 2023-10-20 CN disclosed