SCHEMBL9857637

SCHEMBL9857637

C=C(C)C(=O)Cl.C=C(CCCN=C=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 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
Acetone SCHEMBL5519066 0.90 TET2 (0.35) TET2TET3TET1GRIK1GRIK2
SCHEMBL15427 0.88 TET2 (0.39) TET2TET3TET1GRIK1GRIK2
SCHEMBL890544 0.83 TET2 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL8849728 0.83 ALDH1A1 (0.44)
SCHEMBL33514 0.83 TBXAS1 (0.36) TET2TET3TET1GRIK1GRIK2
SCHEMBL5685778 0.81 CAMK2A (0.35) TET2TET3TET1GRIK1GRIK2
SCHEMBL2358462 0.81 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL448242 0.81 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL448594 0.81 TBXAS1 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL445702 0.81 TBXAS1 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448717-A1 CEMENT ADMIXTURE, PRODUCTION THEREOF, AND CEMENT COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 1991-10-02 EP disclosed