SCHEMBL9410233

SCHEMBL9410233

C/C=C/CC(S)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.40
GRIK2 Q13002 4/20 0.40
SLC22A6 Q4U2R8 1/20 0.33
HDAC2 Q92769 1/20 0.33
FOLH1 Q04609 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL21986677 0.76 GRIK1 (0.41) GRIK1GRIK2SLC22A6HDAC2FOLH1
SCHEMBL6329381 0.76 SLC22A6 (0.52) GRIK1GRIK2SLC22A6HDAC2TDP1
SCHEMBL6329384 0.76 SLC22A6 (0.52) GRIK1GRIK2SLC22A6HDAC2TDP1
SCHEMBL22500687 0.74 GRIK1 (0.40) GRIK1GRIK2SLC22A6HDAC2FOLH1
SCHEMBL22500689 0.74 GRIK1 (0.40) GRIK1GRIK2SLC22A6HDAC2FOLH1
SCHEMBL23241896 0.74 GRIK1 (0.48) GRIK1GRIK2SLC22A6HDAC2
SCHEMBL21986648 0.74 GRIK1 (0.40) GRIK1GRIK2SLC22A6HDAC2TDP1
SCHEMBL23241895 0.74 GRIK1 (0.48) GRIK1GRIK2SLC22A6HDAC2
SCHEMBL13351667 0.74 GRIK1 (0.58) GRIK1GRIK2SLC22A6HDAC2FOLH1
SCHEMBL9770925 0.74 GRIK1 (0.48) GRIK1GRIK2SLC22A6HDAC2

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
EP-0587333-A2 Multi-stage polymers having alkali-soluble and alkali-insoluble stages ROHM AND HAAS COMPANY (US) 1994-03-16 EP disclosed