SCHEMBL8750227

SCHEMBL8750227

C=CC(=O)N(CC#N)CC#N

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.62
ZDHHC2 Q9UIJ5 1/20 0.62
DPP4 P27487 6/20 0.42
CYP1A2 P05177 1/20 0.38
ELANE P08246 1/20 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
SCHEMBL20314809 0.86 ZDHHC20 (0.54) ZDHHC20ZDHHC2DPP4CYP1A2
SCHEMBL3405331 0.77
SCHEMBL2478566 0.77 ZDHHC20 (0.50) ZDHHC20ZDHHC2DPP4
SCHEMBL4373176 0.76 ZDHHC20 (0.41) ZDHHC20ZDHHC2
Water SCHEMBL11778100 0.72 ZDHHC20 (0.40) ZDHHC20ZDHHC2
SCHEMBL1864608 0.71 ZDHHC20 (0.53) ZDHHC20ZDHHC2DPP4
SCHEMBL18340467 0.71 DPP4 (0.54) ZDHHC20ZDHHC2DPP4CYP1A2
SCHEMBL10777563 0.70 ZDHHC20 (0.44) ZDHHC20ZDHHC2
SCHEMBL224019 0.69
SCHEMBL19636114 0.68 ALDH1A1 (0.43) ZDHHC20ZDHHC2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023090304-A1 POLYMER, ELASTOMER, PRODUCTION METHOD THEREFOR, ACTUATOR, AND SENSOR 大阪有機化学工業株式会社 2023-05-25 WO disclosed
EP-0476117-B1 THERMOREVERSIBLE HEAT-THICKENING POLYACRYLAMIDES EASTMAN KODAK CO (US) 1997-02-19 EP disclosed
US-5432245-A Casting layer of aqueous solution of polymer with hydrophobic units of N-/1,1-dimethyl-3-oxobutyl/acrylamide or an N-alkylacrylamide and hydrophilic units of another acrylamide, and heating to thicken and gel the layer EASTMAN KODAK COMPANY (US) 1995-07-11 US disclosed