SCHEMBL17308573

SCHEMBL17308573

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TET2 Q6N021 3/20 0.39
TET3 O43151 1/20 0.39
TET1 Q8NFU7 1/20 0.39
OR51E2 Q9H255 1/20 0.32

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
SCHEMBL13881101 0.81 GRIK1 (0.42) GRIK1GRIK2
SCHEMBL24501833 0.80 GRIK1 (0.62) GRIK1GRIK2
SCHEMBL22060227 0.80 GRIK1 (0.62) GRIK1GRIK2
SCHEMBL19370487 0.76 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL18993998 0.70 SMN1; SMN2 (0.40) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL20997460 0.70 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL24236683 0.70 GRIK1 (0.33) GRIK1GRIK2
Malic Acid SCHEMBL21145219 0.70 SMN1; SMN2 (0.68) SMN1; SMN2TET2TET3TET1OR51E2
Malic Acid SCHEMBL21145216 0.70 SMN1; SMN2 (0.68) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL20825132 0.69 GRIK1 (0.38) GRIK1GRIK2

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-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed