SCHEMBL29150893

SCHEMBL29150893

Cc1cc(O)c(C(=O)CCCCCc2ccccc2)c(=O)o1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.68
CBS P35520 1/20 0.64
ACHE P22303 3/20 0.59
SGMS1 Q86VZ5 3/20 0.59
SGMS2 Q8NHU3 3/20 0.59
FAAH O00519 3/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
CES1 P23141 1/20 0.47
DPP4 P27487 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL29150883 0.95 ELANE (0.64) ELANECBSACHESGMS1SGMS2
SCHEMBL458844 0.90 GAA (0.60) ELANECBSALDH1A1MAPTGAA
SCHEMBL27035891 0.87 ELANE (0.88) ELANEALDH1A1
SCHEMBL27035935 0.87 ELANE (0.88) ELANEALDH1A1
SCHEMBL27035914 0.87 ELANE (0.88) ELANEALDH1A1
SCHEMBL27035967 0.87 ELANE (0.88) ELANEALDH1A1
SCHEMBL27035911 0.87 ELANE (0.88) ELANEALDH1A1
SCHEMBL29150899 0.82 ELANE (0.61) ELANECBSACHESGMS1SGMS2
SCHEMBL29150873 0.81 ELANE (1.00) ELANEALDH1A1MAPT
SCHEMBL29150904 0.81 ELANE (1.00) ELANEALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143062-B 4-Hydroxy-2-pyrone compound, preparation method and application 西北农林科技大学 2024-09-20 CN disclosed
CN-117143062-A 3-substituted 4-hydroxy-2-pyrone compound, preparation method and application 西北农林科技大学 2023-12-01 CN disclosed