SCHEMBL17899061

SCHEMBL17899061

CC(C)C(=O)O[C@@H]1[C@@H](Cc2ccc(F)cc2)CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.36
KDM4D Q6B0I6 3/20 0.35
GAA P10253 1/20 0.34
CTSD P07339 1/20 0.32

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
SCHEMBL17899060 0.86 SCN9A (0.35) SCN9AKDM4DGAA
SCHEMBL17899062 0.86 SCN9A (0.36) SCN9AGAA
SCHEMBL15366872 0.85 KMT2A (0.38) GAA
SCHEMBL15366868 0.85 KMT2A (0.38) GAA
SCHEMBL15531266 0.85 KMT2A (0.38) GAA
SCHEMBL15366865 0.85 KMT2A (0.38) GAA
SCHEMBL15364406 0.85 SCN9A (0.36) SCN9AKDM4DGAA
SCHEMBL15364412 0.85 SCN9A (0.36) SCN9AKDM4DGAA
SCHEMBL19614773 0.84 SCN9A (0.35) SCN9AKDM4D
SCHEMBL19614775 0.84 SCN9A (0.35) SCN9AKDM4D

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
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed