SCHEMBL7528046

SCHEMBL7528046

COC(=O)C(C(N)=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 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
SCHEMBL2600065 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL27740042 0.79 LMNA (0.35) CA1CA2
SCHEMBL7208899 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL14827564 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL7534060 0.77 ALOX15 (0.46) CA1CA2
SCHEMBL526639 0.74 DGAT1 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL7973384 0.73 MGAM (0.41) SMN1; SMN2CA1CA2
SCHEMBL8408756 0.72 ALDH1A1 (0.39) CA1CA2KMT2A
SCHEMBL28516660 0.71 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL9794475 0.70 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100424-A Process for the preparation of amino acetic acid esters with a tertiary hydrocarbon radical in the α-position DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2000-08-08 US claimed
EP-0970944-B1 Preparation of amino acetic acid esters substituted at position alpha by a tertiary hydrocarbon chain DEGUSSA (DE) 2002-03-27 EP disclosed
US-6100424-A Process for the preparation of amino acetic acid esters with a tertiary hydrocarbon radical in the α-position DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
EP-0970944-A1 Preparation of amino acetic acid esters substituted at position alpha by a tertiary hydrocarbon chain Degussa-Hüls Aktiengesellschaft (DE) 2000-01-12 EP disclosed