Zinc Ion

Zinc Ion

SCHEMBL8465162

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

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 2/20 0.33
IDH1 O75874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
FUT7 Q11130 1/20 0.32
SHBG P04278 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
Potassium Ion SCHEMBL8464550 0.98 CYP3A4 (0.33) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL8460391 0.98 FUT7 (0.34) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
Zinc Ion SCHEMBL8465269 0.90 FUT7 (0.30) FUT7
SCHEMBL5885053 0.88 CYP3A4 (0.34) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
Zinc Ion SCHEMBL8464744 0.88 CYP2C19 (0.33) HIF1ACYP2C9CYP2D6FUT7
Zinc Ion SCHEMBL8461982 0.88 CYP2C19 (0.33) HIF1ACYP2C9CYP2D6FUT7
Potassium Ion SCHEMBL8462356 0.87 FUT7 (0.30) FUT7
SCHEMBL8465723 0.87 FUT7 (0.33) FUT7
SCHEMBL8461746 0.86 FUT7 (0.34) HIF1ACYP2C9CYP2D6FUT7
SCHEMBL8462353 0.86 FUT7 (0.34) HIF1ACYP2C9CYP2D6FUT7

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
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