Zinc Ion

Zinc Ion

SCHEMBL8461982

CC(C)CCCCCCc1cc(C(C)(C)C)cc(C(=O)[O-])c1O.CC(C)CCCCCCc1cc(C(C)(C)C)cc(C(=O)[O-])c1O.[Zn+2]

nearest known ligand 0.33

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
FUT7 Q11130 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
ALOX5 P09917 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
Zinc Ion SCHEMBL8464744 1.00 CYP2C19 (0.33) CYP2C19NR5A2NR5A1FUT7CYP1A2
SCHEMBL8462353 0.97 FUT7 (0.34) CYP2C19NR5A2NR5A1FUT7CYP1A2
Potassium Ion SCHEMBL8463801 0.97 CYP2C19 (0.33) CYP2C19NR5A2NR5A1FUT7CYP1A2
Potassium Ion SCHEMBL8461114 0.97 CYP2C19 (0.33) CYP2C19NR5A2NR5A1FUT7CYP1A2
SCHEMBL8461746 0.97 FUT7 (0.34) CYP2C19NR5A2NR5A1FUT7CYP1A2
Zinc Ion SCHEMBL9500780 0.95 CYP2C19 (0.35) CYP2C19NR5A2NR5A1CYP1A2CYP2D6
Zinc Ion SCHEMBL8465269 0.89 FUT7 (0.30) FUT7
Zinc Ion SCHEMBL8465162 0.88 CYP3A4 (0.33) FUT7CYP2D6CYP2C9HIF1A
SCHEMBL5885382 0.87 AKR1C2 (0.36) CYP2C19NR5A2NR5A1
SCHEMBL5885039 0.87 AKR1C2 (0.36) CYP2C19NR5A2NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548906-B1 Method for preparing nuclear-substituted salicylic acid metal salts and color developer for pressure-sensitive recording sheets SANKO KAIHATSU KAGAKU KENK (JP) 1999-03-31 EP disclosed
US-5393332-A Salt of salicylic acid SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1995-02-28 US disclosed
EP-0548906-A2 Method for preparing nuclear-substituted salicylic acids and metal salts thereof Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-30 EP disclosed
EP-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP disclosed
US-5118443-A DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-06-02 US disclosed
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP disclosed