SCHEMBL5685778

SCHEMBL5685778

C=C(CCCN=C=O)C(=O)O.C=C(CCCO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.35
TET2 Q6N021 3/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
TBXAS1 P24557 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33
MIF P14174 1/20 0.31

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
SCHEMBL15427 0.93 TET2 (0.39) TET2TET3TET1TBXAS1GRIK1
Acetone SCHEMBL5519066 0.87 TET2 (0.35) TET2TET3TET1TBXAS1GRIK1
SCHEMBL33514 0.87 TBXAS1 (0.36) TET2TET3TET1TBXAS1GRIK1
SCHEMBL2358462 0.85 TBXAS1 (0.38) TET2TET3TET1TBXAS1GRIK1
SCHEMBL445917 0.85 TBXAS1 (0.38) TET2TET3TET1TBXAS1GRIK1
SCHEMBL448242 0.85 TBXAS1 (0.38) TET2TET3TET1TBXAS1GRIK1
SCHEMBL448594 0.85 TBXAS1 (0.38) TET2TET3TET1TBXAS1GRIK1
SCHEMBL445702 0.85 TBXAS1 (0.38) TET2TET3TET1TBXAS1GRIK1
SCHEMBL890544 0.84 TET2 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL9857637 0.81 TET2 (0.32) TET2TET3TET1GRIK1GRIK2

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
EP-0849004-B1 Coating substrates ROHM & HAAS (US) 2006-03-22 EP disclosed
US-5932350-A WITH CROSSLINKED THERMOSETTING RESIN ROHM AND HAAS COMPANY (US) 1999-08-03 US disclosed
EP-0849004-A2 Coating substrates ROHM AND HAAS COMPANY (US) 1998-06-24 EP disclosed