SCHEMBL28599241

SCHEMBL28599241

CC(=O)CC(C)(C)c1cc(OC(=O)C(C)(C)C)cc(C(C)(C)CC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.45
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24740937 0.77 ELANE (0.52) ELANECA2
SCHEMBL9925703 0.75 ELANE (0.64) ELANECA2
SCHEMBL28599242 0.71 ELANE (0.43) ELANEALDH1A1
SCHEMBL23393531 0.70 ELANE (0.58) ELANECA2
SCHEMBL17585017 0.69 ELANE (0.55) ELANEALDH1A1
SCHEMBL9787613 0.67 SHBG (0.55) ALDH1A1
SCHEMBL20368798 0.67 ELANE (0.53) ELANECA2
SCHEMBL22369614 0.67 ELANE (0.86) ELANE
SCHEMBL6544419 0.66 ELANE (0.52) ELANECA2
SCHEMBL19335219 0.66 CA5A (0.55) ELANECA2

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-108040479-B Hydrogen sulfide precursors and conjugates thereof 乔治亚州立大学研究基金会股份有限公司 2021-08-03 CN disclosed