SCHEMBL4072741

SCHEMBL4072741

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
GRIK1 P39086 4/20 0.35
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
GRIK3 Q13003 2/20 0.35
GRIK5 Q16478 2/20 0.35
GRIK2 Q13002 2/20 0.35
GRIA1 P42261 1/20 0.35
GABRP O00591 4/20 0.34
GABRD O14764 4/20 0.34
GABRA1 P14867 4/20 0.34
GABRB1 P18505 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRA3 P34903 4/20 0.34
GABRA2 P47869 4/20 0.34
GABRB2 P47870 4/20 0.34
GABRA4 P48169 4/20 0.34
GABRE P78334 4/20 0.34

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
SCHEMBL4356171 0.80
SCHEMBL25360852 0.80 AKR1C3 (0.38) AKR1C3APEX1SLC7A5PTGS1
SCHEMBL127941 0.80
Bromide SCHEMBL10351104 0.78 GABRP (0.41) AKR1C3GRIK1GRIA2GRIA4GRIK3
Hydrochloric Acid SCHEMBL2148370 0.78 GABRP (0.41) AKR1C3GRIK1GRIA2GRIA4GRIK3
SCHEMBL6048030 0.78 AKR1C3 (0.37) AKR1C3APEX1PTGS1
Chloromethane SCHEMBL1802833 0.78 GABRP (0.41) AKR1C3GRIK1GRIA2GRIA4GRIK3
SCHEMBL6048033 0.78 AKR1C3 (0.37) AKR1C3APEX1PTGS1
SCHEMBL17027707 0.78 AKR1C3 (0.37) AKR1C3APEX1PTGS1
SCHEMBL18047809 0.77

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-2054452-A2 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-06 EP disclosed
WO-2008021153-A2 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-02-21 WO disclosed