SCHEMBL20169788

SCHEMBL20169788

C[C@@H]1OC(=O)C(NC(=O)OC(C)(C)C)COC[C@H](OCC2CC2)[C@H]1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
SCN9A Q15858 3/20 0.35
KDM4D Q6B0I6 1/20 0.32
DRD2 P14416 2/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16864965 1.00 GAA (0.35) GAASCN9AKDM4DDRD2KMT2A
SCHEMBL16864984 0.92 KMT2A (0.39) GAASCN9ADRD2KMT2AL3MBTL1
SCHEMBL16864923 0.89 GAA (0.36) GAASCN9A
SCHEMBL16865270 0.89 SCN9A (0.35) GAASCN9AKMT2AL3MBTL1
SCHEMBL16864926 0.88 KLK5 (0.39)
SCHEMBL17428280 0.87 GAA (0.37) GAASCN9AKDM4DDRD2KMT2A
SCHEMBL16864924 0.87 GAA (0.35) GAASCN9AKDM4DKMT2AL3MBTL1
SCHEMBL16864922 0.85 GAA (0.39) GAASCN9AKDM4D
SCHEMBL16864968 0.84 GAA (0.35) GAASCN9AKMT2A
SCHEMBL17899060 0.84 SCN9A (0.35) GAASCN9AKDM4D

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
US-9974304-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-22 US disclosed