SCHEMBL7572038

SCHEMBL7572038

CCc1c(Cl)cc(C(=O)NC(C)(CC)C(=O)CCl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ANO1 Q5XXA6 2/20 0.33
DDR1 Q08345 1/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 2/20 0.32

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
Zoxamide SCHEMBL7170744 0.87 LMNA (0.36) HSD17B13GAAKDM4EALDH1A1ANO1
Zoxamide SCHEMBL170285 0.87 LMNA (0.36) HSD17B13GAAKDM4EALDH1A1ANO1
Zoxamide SCHEMBL70113 0.87 LMNA (0.36) HSD17B13GAAKDM4EALDH1A1ANO1
Zoxamide SCHEMBL17701171 0.86 LMNA (0.35) HSD17B13GAAKDM4EALDH1A1ANO1
SCHEMBL7527475 0.86 HSD11B1 (0.38) HSD17B13GAAKDM4EALDH1A1ANO1
SCHEMBL8058941 0.85 ALDH1A1 (0.33) HSD17B13GAAKDM4EALDH1A1ANO1
SCHEMBL7530423 0.84 GRN (0.43) GAAALDH1A1DDR1CYP2D6MAPT
SCHEMBL7565659 0.84 ALDH1A1 (0.55) GAAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL8059003 0.84 LMNA (0.33) HSD17B13GAAKDM4EALDH1A1ANO1
SCHEMBL8065626 0.83 HSD17B13 (0.34) HSD17B13GAAKDM4EALDH1A1ANO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed