Gluconic Acid

Gluconic Acid

SCHEMBL887105

CC(O)C(=O)O[C@@H](C(=O)[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]

nearest known ligand 0.59

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 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
PDE4A P27815 1/20 0.44
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 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 SCHEMBL3389955 0.97 LMNA (0.59) LMNAPDE4AUSP2SLCO1B1L3MBTL1
SCHEMBL3385393 0.94 LMNA (0.47) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL3710793 0.89 LMNA (0.65) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL547729 0.88 LMNA (0.62) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL2229853 0.86 LMNA (0.65) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL9142009 0.85 LMNA (0.59) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL826558 0.84 LMNA (0.62) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL303216 0.84 LMNA (0.77) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL21835970 0.84 LMNA (0.77) LMNAPDE4AUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL2266761 0.84 LMNA (0.77) LMNAPDE4AUSP2SLCO1B1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434869-B1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM NV (NL) 2010-12-15 EP claimed
US-20090104339-A1 METHOD FOR PREPARING CALCIUM GLUCONATE PURAC BIOCHEM B.V. (NL) 2009-04-23 US claimed
US-20040253345-A1 Method for preparing calcium gluconate PURAC BIOCHEM B.V. (NL) 2004-12-16 US claimed
EP-2405770-A1 COMPOSITIONS COMPRISING MONATIN AND CALCIUM Cargill, Incorporated (US) 2012-01-18 EP disclosed
US-20120009320-A1 COMPOSITIONS COMPRISING MONATIN AND CALCIUM CARGILL, INCORPORATED 2012-01-12 US disclosed
WO-2010105014-A1 COMPOSITIONS COMPRISING MONATIN AND CALCIUM CARGILL, INCORPORATED (US) 2010-09-16 WO disclosed
CN-100451124-C Method for preparing calcium gluconate PURAC BIOCHEM NV (NL) 2009-01-14 CN disclosed
CN-1564871-A Method for preparing calcium gluconate PURAC BIOCHEM NV (NL) 2005-01-12 CN disclosed