SCHEMBL11246909

SCHEMBL11246909

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.34
TGFBR1 P36897 1/20 0.32
SMPD2 O60906 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
SCHEMBL11246905 1.00 OR51E2 (0.34) OR51E2TGFBR1SMPD2
SCHEMBL8512783 0.75 CPB2 (0.43)
SCHEMBL8513717 0.75 CPB2 (0.43)
SCHEMBL11293869 0.72 TP53 (0.32)
SCHEMBL27088407 0.72 OR51E2 (0.36) OR51E2TGFBR1
SCHEMBL27088408 0.72 OR51E2 (0.36) OR51E2TGFBR1
SCHEMBL468810 0.70 OR51E2 (0.35) OR51E2TGFBR1
SCHEMBL9056828 0.70 ALDH1A1 (0.33)
SCHEMBL468809 0.70 OR51E2 (0.35) OR51E2TGFBR1
SCHEMBL12436617 0.70 OR51E2 (0.35) OR51E2TGFBR1

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
JP-58177269-A None JP disclosed
JP-S58177269-A MANUFACTURE OF POLYVINYLACETAL-SERIES POROUS POLISHING MATERIAL KANEBO LTD 1983-10-17 JP disclosed