Demannose

Demannose

SCHEMBL30163169

CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FFAR3 O14843 1/20 0.39
KDM4E B2RXH2 2/20 0.36
AKR1B1 P15121 1/20 0.33
TOP1 P11387 1/20 0.31
FPR2 P25090 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Demannose SCHEMBL7173387 1.00 PDE4A (0.45) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Demannose SCHEMBL31036703 1.00 PDE4A (0.45) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Demannose SCHEMBL20873574 1.00 PDE4A (0.45) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Demannose SCHEMBL9051898 0.95 PDE4A (0.41) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Xylose SCHEMBL28019964 0.94 PDE4A (0.42) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Xylose SCHEMBL29927531 0.94 PDE4A (0.42) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Xylose SCHEMBL31303130 0.92 PDE4A (0.41) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Demannose SCHEMBL11509811 0.90 PDE4A (0.47) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Galactose SCHEMBL423422 0.90 PDE4A (0.50) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Demannose SCHEMBL13277644 0.90 PDE4A (0.50) PDE4ALMNAUSP2SLCO1B1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597741-B2 Processes and materials for the synthesis of sugar esters found in natural tobacco Myst Labs Inc. (US) 2023-03-07 US claimed
US-11597741-B2 Processes and materials for the synthesis of sugar esters found in natural tobacco Myst Labs Inc. (US) 2023-03-07 US disclosed