SCHEMBL28083469

SCHEMBL28083469

C=C(C)C(=O)NCCCC.C=C(C)C(N)=O.C=CC(=O)NCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.58
ZDHHC2 Q9UIJ5 1/20 0.58
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
EPHX2 P34913 1/20 0.36
TGM2 P21980 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX1 P07099 4/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MMP2 P08253 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN2D O15399 1/20 0.33

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
Diethylamine SCHEMBL7649226 0.88 ZDHHC20 (0.58) ZDHHC20ZDHHC2GAAACHETDP1
SCHEMBL3467185 0.88 ZDHHC20 (0.77) ZDHHC20ZDHHC2EPHX2TGM2EPHX1
SCHEMBL3467554 0.88 ZDHHC20 (0.77) ZDHHC20ZDHHC2EPHX2TGM2EPHX1
Acrylamide SCHEMBL28045733 0.87 ZDHHC20 (0.47) ZDHHC20ZDHHC2ACHEEPHX2ALDH1A1
SCHEMBL10386869 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2GAATDP1TGM2
SCHEMBL3467775 0.85 ZDHHC20 (0.60) ZDHHC20ZDHHC2EPHX2EPHX1PLA2G2A
SCHEMBL11172218 0.84 ZDHHC20 (0.65) ZDHHC20ZDHHC2GAATDP1TGM2
SCHEMBL10735088 0.84 ZDHHC20 (0.65) ZDHHC20ZDHHC2GAATDP1TGM2
SCHEMBL28231033 0.84 ZDHHC20 (0.55) ZDHHC20ZDHHC2GAATDP1TGM2
SCHEMBL28072650 0.84 ZDHHC20 (0.55) ZDHHC20ZDHHC2GAATDP1TGM2

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-103183999-B metal coating composition 关西涂料株式会社 2016-08-03 CN disclosed