SCHEMBL8580536

SCHEMBL8580536

C/C(=C\C(N)C(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.33
PTGS1 P23219 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SLC7A5 Q01650 1/20 0.32
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31
GRIK3 Q13003 2/20 0.31
GRIK5 Q16478 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIK2 Q13002 1/20 0.31
AKR1C3 P42330 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
Chloromethane SCHEMBL1802833 0.76 GABRP (0.41) GRIK1PTGS1ALDH1A1MAPTSLC7A5
SCHEMBL18047811 0.75
SCHEMBL18047809 0.75
SCHEMBL3623158 0.74 TUBB1 (0.32) GRIK1PTGS1GRIA2GRIA4GRIK3
SCHEMBL2162401 0.74 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL4356171 0.73
SCHEMBL127941 0.73
SCHEMBL31486379 0.72
Bromide SCHEMBL10351104 0.71 GABRP (0.41) GRIK1PTGS1SLC7A5GRIA2GRIA4
Hydrochloric Acid SCHEMBL2148370 0.71 GABRP (0.41) GRIK1PTGS1SLC7A5GRIA2GRIA4

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-1998016308-A1 COMPOSITE MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed
EP-0276464-A2 Process for preparing hydrosoluble copolymers of maleic acid, and their use as water-treating agents BASF Aktiengesellschaft (DE) 1988-08-03 EP disclosed
EP-0068225-B1 USE OF WATER-SOLUBLE POLYMERS OF DI-C1-C3 ALKYL-AMINO-NEOPENTYL-(METH)ACRYLATES AS RETENTION, DEWATERING AND FLOCCULATING AGENTS BASF Aktiengesellschaft (DE) 1985-11-27 EP disclosed