SCHEMBL9620115

SCHEMBL9620115

C=C(CC(COC(C)=O)C1(C)OC(C)C(C)O1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 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
SCHEMBL9619987 0.83 TET2 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL9620070 0.68 ALDH1A1 (0.34)
SCHEMBL9619979 0.65 TET2 (0.34) TET2TET3TET1GRIK1GRIK2
SCHEMBL352316 0.60 ALDH1A1 (0.42) TET2TET3TET1GRIK1GRIK2
SCHEMBL8679044 0.59 TSHR (0.42)
SCHEMBL38654491 0.59 ALDH1A1 (0.37)
SCHEMBL4443797 0.58 TET2 (0.54) TET2TET3TET1GRIK1GRIK2
SCHEMBL17381411 0.58 TDP1 (0.39)
SCHEMBL1696448 0.57 ALDH1A1 (0.43) TET2
SCHEMBL6036744 0.57 TSHR (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347381-B1 UNSATURATED BETA-KETOESTERACETALS AND THEIR APPLICATIONS CIBA-GEIGY AG (CH) 1992-02-12 EP disclosed
EP-0347381-A1 Unsaturated beta-ketoesteracetals and their applications CIBA-GEIGY AG (CH) 1989-12-20 EP disclosed