SCHEMBL8841234

SCHEMBL8841234

COC(=N)CC(=O)O[C@@H](C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA14 Q9ULX7 2/20 0.32
F9 P00740 1/20 0.31
PLAU P00749 1/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
MME P08473 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
SCHEMBL8841221 0.87 MGAM (0.39) SMN1; SMN2MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL8841251 0.85 MGAM (0.38) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL2896443 0.83 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL2886197 0.83 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL2886194 0.83 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL26298907 0.79 KDM4E (0.38) SMN1; SMN2MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL9532536 0.79 LMNA (0.39) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL4673030 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL9304638 0.77 KLK7 (0.38) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL18127581 0.75 LMNA (0.48) TSHR

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
US-5652371-A 3-imino-3-alkoxy-propionic acid lactates and their tautomeric acrylic acid lactates BAYER AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
EP-0591773-A1 3-imino-3-alkoxy-propionicacidlactates and the tautomer acroylicacidlactates BAYER AG (DE) 1994-04-13 EP disclosed