SCHEMBL28299879

SCHEMBL28299879

CCC(=O)N(NOC)NOC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 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
SCHEMBL27321896 0.70 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28739707 0.70 HTT (0.36) MGAMGAASIMGAM2SOAT1
Methyl Alcohol SCHEMBL27346858 0.69 ALDH1A1 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7558354 0.69 TDP1 (0.33) MGAMGAASIMGAM2SOAT1
SCHEMBL2868002 0.69 MEN1 (0.36) GAAALDH1A1TSHRTDP1
SCHEMBL18699689 0.65 MEN1 (0.34) MGAMGAASIMGAM2SOAT1
SCHEMBL8645183 0.65
SCHEMBL22566417 0.65 SOAT1 (0.39) MGAMGAASIMGAM2SOAT1
SCHEMBL30395993 0.65 ALDH1A1 (0.33) ALDH1A1TDP1FFAR3
SCHEMBL20699865 0.65 TDP1 (0.30) ALDH1A1TDP1FFAR3

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
CN-105682461-B Pesticidal combination and relative method 美国陶氏益农公司 2019-06-14 CN disclosed