SCHEMBL3660087

SCHEMBL3660087

C=CCCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 1/20 0.40
HSD17B2 P37059 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B1 P14061 1/20 0.40
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
PDE10A Q9Y233 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DOT1L Q8TEK3 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3661494 1.00 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3659710 0.99 ALOX15 (0.43) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3658483 0.96 ALOX15 (0.44) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3660119 0.93 ALOX15 (0.45) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3662139 0.90 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3658462 0.89 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3655363 0.88 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3659546 0.87 ALOX15 (0.46) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3659912 0.86 ALOX15 (0.43) ALOX15HTTPLK1HSD17B2CYP3A4
SCHEMBL3660490 0.86 ALOX15 (0.43) ALOX15HTTPLK1HSD17B2HSD17B1

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-2215062-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009069792-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 WO disclosed