SCHEMBL6671619

SCHEMBL6671619

CC#CC(C)(CO)NC(=O)C(CC)Oc1cnc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 5/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.30
CNR1 P21554 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
SCHEMBL5158275 0.89 ALDH1A1 (0.35) ALDH1A1PKMPOLBGAANPSR1
SCHEMBL6673612 0.84 PKM (0.33) PKMMAPTKMT2A
SCHEMBL5156570 0.82 ALDH1A1 (0.33) ALDH1A1PKMPOLBGAANPSR1
SCHEMBL5158298 0.78 ALDH1A1 (0.32) ALDH1A1PKMPOLBGAANPSR1
SCHEMBL6175940 0.77 ALDH1A1 (0.44) ALDH1A1GAA
SCHEMBL5158389 0.77 PKM (0.35) PKMMAPTKMT2A
SCHEMBL5156465 0.75 NPSR1 (0.31) ALDH1A1NPSR1
SCHEMBL6253709 0.75 PKM (0.32) ALDH1A1PKMPOLBGAANPSR1
SCHEMBL5159627 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5155826 0.75 MAPK1 (0.39) ALDH1A1POLBGAANPSR1SCN9A

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-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 WO disclosed