Demannose

Demannose

SCHEMBL27660938

CCCC(=O)O.O=CC(O)C(O)C(O)C(O)CO

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PDE4A P27815 1/20 0.41
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FPR2 P25090 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1B1 P15121 2/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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 SCHEMBL5586151 1.00 FFAR3 (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
Demannose SCHEMBL28531529 0.98 FFAR3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Xylose SCHEMBL18141104 0.95 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
Xylose SCHEMBL16011524 0.95 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
Xylose SCHEMBL20581742 0.95 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
Demannose SCHEMBL30163433 0.90 FPR2 (0.44) PDE4AFPR2NFKB1NFKB2RELA
Demannose SCHEMBL18141631 0.90 FPR2 (0.44) PDE4AFPR2NFKB1NFKB2RELA
Demannose SCHEMBL28742780 0.90 FPR2 (0.44) PDE4AFPR2NFKB1NFKB2RELA
Demannose SCHEMBL4444321 0.89 PDE4A (0.47) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Demannose SCHEMBL31490918 0.89 PDE4A (0.47) 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
CN-106456807-A Glucose analogs for diagnosing disease states 技术创新动力基金(以色列)有限合伙公司 2017-02-22 CN disclosed
CN-1890385-A Genes associated with colorectal cancer UNIV SHEFFIELD (GB) 2007-01-03 CN disclosed