SCHEMBL6252984

SCHEMBL6252984

CC#CC(CC)NC(=O)C(Br)COC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ZDHHC7 Q9NXF8 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
SCHEMBL6252981 0.73
SCHEMBL17110972 0.69 FFAR1 (0.32) ALDH1A1
SCHEMBL2858818 0.69
SCHEMBL5357473 0.69
SCHEMBL5651933 0.65
SCHEMBL6172426 0.65
SCHEMBL2318914 0.64
SCHEMBL15670391 0.64
SCHEMBL9797174 0.62
SCHEMBL2321183 0.62

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
EP-1567480-A1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004048316-A1 N-ALKYNYL-2- (SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed