Gluconic Acid

Gluconic Acid

SCHEMBL5861529

CC(O)C(=O)[O-].CC(O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2].[Ca+2]

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHESCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Gluconic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.77
PDE4A P27815 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
OR51E2 Q9H255 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
Gluconic Acid SCHEMBL21835970 1.00 LMNA (0.77) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL2266761 1.00 LMNA (0.77) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL303216 1.00 LMNA (0.77) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL22653996 0.98 LMNA (0.74) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL22653997 0.98 LMNA (0.74) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL4165311 0.98 LMNA (0.74) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL27096625 0.98 LMNA (0.74) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL377417 0.98 LMNA (0.74) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL14813276 0.96 LMNA (0.84) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL17675382 0.96 LMNA (0.77) LMNAPDE4AL3MBTL1USP2SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138151-B2 Calcium-fortified acidic beverages UNILAB PHARMATECH, LTD. (CN) 2006-11-21 US claimed
US-20040101597-A1 Calcium fortified acidic beverages UNILAB PHARMATECH, LTD. (CN) 2004-05-27 US claimed
CN-107384319-A A kind of chemical dust suppressant for mine 鞍钢集团矿业有限公司 2017-11-24 CN disclosed