SCHEMBL28070116

SCHEMBL28070116

NCCC[C@@H](N)C(=O)OP(=O)(O)OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.39
▸ CA4 P22748 3/20 0.36
▸ DPP4 P27487 2/20 0.33
▸ DPP7 Q9UHL4 2/20 0.33
▸ CA1 P00915 2/20 0.31
▸ CA5A P35218 2/20 0.31
▸ CA5B Q9Y2D0 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ OTC P00480 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CPB2 Q96IY4 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
SCHEMBL8919007 0.82 GSR (0.44) GSRCA4DPP4DPP7LMNA
Fluoride SCHEMBL11670434 0.81 GSR (0.42) GSRCA4DPP4DPP7LMNA
SCHEMBL28638200 0.79 GSR (0.46) GSRDPP4DPP7DPP8DPP9
SCHEMBL11803677 0.79 GSR (0.46) GSRDPP4DPP7DPP8DPP9
SCHEMBL11799052 0.78 GSR (0.44) GSRDPP4DPP7DPP8DPP9
SCHEMBL11798738 0.78 GSR (0.44) GSRDPP4DPP7DPP8DPP9
Water SCHEMBL16212188 0.78 GSR (0.44) GSRDPP4DPP7DPP8DPP9
SCHEMBL22092197 0.77 GSR (0.52) GSRCA4DPP4DPP7LMNA
SCHEMBL874554 0.77 GSR (0.52) GSRCA4DPP4DPP7LMNA
SCHEMBL11799594 0.76 GSR (0.43) GSRDPP4DPP7DPP8DPP9

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-106483208-A For detecting new method and the test kit of urea cycle disorder using mass spectrography 实验室系统诊断有限公司 2017-03-08 — — CN disclosed
CN-105795302-A Solid conditioning health-care beverage 刘英传 2016-07-27 — — CN disclosed
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