SCHEMBL29150899

SCHEMBL29150899

Cc1cc(O)c(C(=O)CCCc2ccc(Br)cc2)c(=O)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.61
ACHE P22303 2/20 0.45
SGMS1 Q86VZ5 2/20 0.45
SGMS2 Q8NHU3 2/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43
USP2 O75604 2/20 0.43
CBS P35520 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC16A3 O15427 1/20 0.40
TTR P02766 1/20 0.40
ESR1 P03372 1/20 0.40

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 0.87 ELANE (0.64) ELANEACHESGMS1SGMS2KMT2A
SCHEMBL29150901 0.85 NFKB1 (0.59) ELANEKMT2AMEN1SLC5A1SLC5A2
SCHEMBL29150893 0.82 ELANE (0.68) ELANEACHESGMS1SGMS2SLC5A1
SCHEMBL29150872 0.82 SLC5A1 (0.65) ELANEKMT2AMEN1SLC5A1SLC5A2
SCHEMBL27035935 0.81 ELANE (0.88) ELANEKMT2AMEN1USP2ALDH1A1
SCHEMBL27035891 0.81 ELANE (0.88) ELANEKMT2AMEN1USP2ALDH1A1
SCHEMBL27035967 0.81 ELANE (0.88) ELANEKMT2AMEN1USP2ALDH1A1
SCHEMBL27035914 0.81 ELANE (0.88) ELANEKMT2AMEN1USP2ALDH1A1
SCHEMBL27035911 0.81 ELANE (0.88) ELANEKMT2AMEN1USP2ALDH1A1
SCHEMBL29150882 0.80 ELANE (0.56) ELANEKMT2AMEN1SLC5A1SLC5A2

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