SCHEMBL27827147

SCHEMBL27827147

CCCCN(C)C(C)(SC(C)=O)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
KDM5A P29375 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
SCHEMBL27846048 0.94 KDM5A (0.36) KDM5A
SCHEMBL27256299 0.76 CA1 (0.36) ALDH1A1CA1CA2CA12CA9
SCHEMBL27510562 0.70 KDM5A (0.41) KDM5A
SCHEMBL28022866 0.70 KDM5A (0.41) KDM5A
SCHEMBL28041871 0.70 KDM5A (0.41) KDM5A
SCHEMBL27879936 0.68 KDM5A (0.39) CA2CA12CA9KDM5A
Palmitamide SCHEMBL28030028 0.67 SOAT1 (0.42) KDM5A
Octadecanoic Acid Amide SCHEMBL27896738 0.67 SOAT1 (0.42) KDM5A
SCHEMBL6229415 0.63 DGAT1 (0.39) ALDH1A1
SCHEMBL13713485 0.63 CA12 (0.39) ALDH1A1CA1CA2CA12CA9

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-101316509-B Compounds and relative use for the control of phytopathogens ISAGRO RICERCA SRL 2011-11-09 CN disclosed