SCHEMBL29227243

SCHEMBL29227243

CC(=O)CC(=O)OCCn1c(=O)n(CCOC(=O)CC(C)=O)c(=O)n(CCC(CCCC(=O)O)C(=O)O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.37
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APEX1 P27695 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
SCHEMBL8724484 0.79 GAA (0.45) GAAKDM4ETDP1ALDH1A1
SCHEMBL23041374 0.78 DGKA (0.41) GAAKDM4ETDP1ALDH1A1
SCHEMBL29227237 0.76 FOLH1 (0.42) FOLH1APEX1
SCHEMBL17467860 0.73 TSHR (0.42) GAAKDM4EAPEX1
SCHEMBL17467862 0.73 APEX1 (0.44) GAAKDM4ETDP1ALDH1A1APEX1
SCHEMBL20988621 0.70 APEX1 (0.40) GAAKDM4EALDH1A1APEX1
SCHEMBL4264089 0.69 TSHR (0.48) GAAKDM4ETDP1ALDH1A1
SCHEMBL19982837 0.68 APEX1 (0.40) GAAKDM4ETDP1ALDH1A1APEX1
SCHEMBL17467863 0.68 APEX1 (0.40) GAAKDM4ETDP1ALDH1A1APEX1
SCHEMBL20988620 0.66 APEX1 (0.36) GAAKDM4EALDH1A1APEX1

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-114302928-B Coating compositions curable by acetylmichael addition 巴斯夫涂料有限公司 2024-04-16 CN disclosed