SCHEMBL28599398

SCHEMBL28599398

Cc1noc(C)c1OC(=O)C(C)(C)C.[Zn]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.35
BRD4 O60885 1/20 0.33
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 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
SCHEMBL27925912 0.98 ELANE (0.36) ELANEBRD4CACNA1FCACNA1DCACNA1S
SCHEMBL3417324 0.77 GAA (0.37) BRD4CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL15881127 0.76 CACNA1F (0.37) BRD4CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6569258 0.71 CACNA1F (0.48) BRD4CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27487658 0.70 ALDH1A1 (0.38) BRD4CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9952959 0.69 ALDH1A1 (0.32) BRD4CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL14664134 0.66 ALDH1A1 (0.44) TSHRHTTL3MBTL1GAA
SCHEMBL13873247 0.65
SCHEMBL12027013 0.63 ELANE (0.45) ELANETSHR
SCHEMBL19558323 0.63 ELANE (0.41) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586500-B Zinc coordination complex and method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2021-06-25 CN disclosed