SCHEMBL28497495

SCHEMBL28497495

CCOC(=O)CN(CCC(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA14 Q9ULX7 4/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.34
KDM5A P29375 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL15312506 0.92 SMN1; SMN2 (0.38) CA14CA12CA1CA2GAA
SCHEMBL20379769 0.90 CA14 (0.38) CA14CA12CA1CA2GAA
SCHEMBL28686036 0.89 KMT2A (0.44) MEN1KMT2ACA14CA12CA1
SCHEMBL5786967 0.88 CA12 (0.37) CA14CA12CA1CA2GAA
SCHEMBL20089221 0.88 KMT2A (0.43) MEN1KMT2ACA14CA12CA1
SCHEMBL20095115 0.85 CA14 (0.36) MEN1KMT2ACA14CA12CA1
SCHEMBL23765759 0.84 CA12 (0.39) CA14CA12CA1CA2GAA
SCHEMBL18758783 0.84 CA12 (0.43) CA14CA12CA1CA2GAA
SCHEMBL23875384 0.84 KMT2A (0.48) MEN1KMT2ACA14CA12CA1
SCHEMBL9055903 0.84 CA12 (0.34) CA14CA12CA1CA2GAA

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
CN-112194598-B Process for the preparation of 3- (tert-butoxycarbonyl-R-oxycarbonylmethyl-amino) -propanoate 郑州猫眼农业科技有限公司 2021-12-21 CN disclosed
CN-112194598-A Process for the preparation of 3- (tert-butoxycarbonyl-ethoxycarbonylmethyl-amino) -propanoate 郑州猫眼农业科技有限公司 2021-01-08 CN disclosed