SCHEMBL3801679

SCHEMBL3801679

NC(O)c1cccc(C(=O)CC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
CES2 O00748 3/20 0.40
ACHE P22303 1/20 0.40
KMO O15229 1/20 0.37
GRM4 Q14833 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
PNMT P11086 1/20 0.36
CES1 P23141 1/20 0.36
KYNU Q16719 1/20 0.34

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
SCHEMBL13840756 0.79 ANPEP (0.46) ANPEPENPEPGRM4
SCHEMBL11775697 0.77 PBRM1 (0.50) CES2ACHE
SCHEMBL11768399 0.75 CA12 (0.52) ACHE
SCHEMBL23217892 0.73 PARP1 (0.52) ACHE
SCHEMBL70367 0.72 CES1 (0.56) CES2CES1
SCHEMBL3801676 0.71 CES2 (0.45) ANPEPENPEPCES2ACHEGRM4
Hydrogen Sulfide SCHEMBL28313848 0.70 TDP1 (0.54) CES1
SCHEMBL6355543 0.70 ACHE (0.44) CES2ACHE
SCHEMBL396689 0.69 PTPN1 (0.48) CES2CES1
SCHEMBL1726058 0.69 GSK3B (0.46) ANPEPENPEPCES2ACHECES1

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-2139874-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2010-01-06 EP disclosed
WO-2008126665-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed