SCHEMBL6250848

SCHEMBL6250848

CC#CC(C)(COC)NC(=O)C(COC)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
HPGD P15428 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
SCHEMBL6252988 0.82 HTRA1 (0.31) ALDH1A1GRNSORT1
SCHEMBL4612367 0.78 ALDH1A1 (0.34) ALDH1A1GRNSORT1HPGD
SCHEMBL6249581 0.77 TSHR (0.32) ALDH1A1
SCHEMBL6172426 0.73
SCHEMBL4614625 0.71 L3MBTL1 (0.42) ALDH1A1GRNSORT1HPGD
SCHEMBL27406402 0.70 ALDH1A1 (0.39) ALDH1A1GRNSORT1HPGD
SCHEMBL6671901 0.70 HTRA1 (0.32)
SCHEMBL4612486 0.69 ALDH1A1 (0.38) ALDH1A1GRNSORT1HPGD
SCHEMBL4612427 0.69 GRN (0.33) ALDH1A1GRNSORT1HPGD
Hydrochloric Acid SCHEMBL4612487 0.68 ALDH1A1 (0.40) ALDH1A1GRNSORT1HPGD

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