SCHEMBL1998945

SCHEMBL1998945

C=C(C[C@@H](O)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 8/20 1.00
TET3 O43151 2/20 1.00
TET1 Q8NFU7 1/20 1.00
GRIK1 P39086 1/20 0.56
GRIK2 Q13002 1/20 0.56
GRM1 Q13255 1/20 0.56
GRM2 Q14416 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
OR51E2 Q9H255 1/20 0.43
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL1993690 1.00 TET2 (1.00) TET2TET3TET1GRIK1GRIK2
SCHEMBL1993688 1.00 TET2 (1.00) TET2TET3TET1GRIK1GRIK2
Itaconate SCHEMBL11094945 0.80 TET2 (0.65) TET2TET3TET1GRIK1GRIK2
SCHEMBL14748207 0.78
SCHEMBL2158348 0.78
SCHEMBL19383760 0.78
SCHEMBL11037132 0.78 TET2 (0.64) TET2TET3TET1GRIK1GRIK2
Malic Acid SCHEMBL14740593 0.77 TET2 (0.61) TET2TET3TET1GRIK1GRIK2
SCHEMBL6038448 0.74
SCHEMBL9510592 0.74

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-2338892-A1 Prostate specific membrane antigen inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-29 EP disclosed