SCHEMBL6252988

SCHEMBL6252988

CC#CC(C)(COC)NC(=O)C(COC)Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 2/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6249581 0.91 TSHR (0.32) ALDH1A1
SCHEMBL4612427 0.89 GRN (0.33) HTRA1GRNSORT1ALDH1A1
SCHEMBL4612652 0.83 HTRA1 (0.32) HTRA1
SCHEMBL6250848 0.82 ALDH1A1 (0.33) GRNSORT1ALDH1A1
SCHEMBL6671901 0.81 HTRA1 (0.32) HTRA1
SCHEMBL4612394 0.79 GRN (0.33) HTRA1GRNSORT1ALDH1A1
SCHEMBL4614473 0.79 HTRA1 (0.33) HTRA1GRNSORT1ALDH1A1
SCHEMBL6252253 0.78 NPSR1 (0.32)
SCHEMBL6173111 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6253709 0.78 PKM (0.32) ALDH1A1

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