SCHEMBL21879811

SCHEMBL21879811

CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CAD P27708 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NOD1 Q9Y239 3/20 0.40
▸ NPY4R P50391 8/20 0.37
▸ NPY1R P25929 6/20 0.37
▸ PPID Q08752 1/20 0.35
▸ NPY2R P49146 5/20 0.35
▸ NPY5R Q15761 5/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL5812127 0.90 SIRT6 (0.43) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL5812133 0.90 SIRT6 (0.43) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL21879809 0.90 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL26017775 0.89 KMT2A (0.47) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL23836846 0.87 NPY4R (0.42) KMT2APOLBCADL3MBTL1NPY4R
SCHEMBL27554606 0.87 CAD (0.39) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL4599236 0.87 CAD (0.39) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL8019370 0.87 CAD (0.39) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL27481242 0.87 CAD (0.39) KMT2APOLBCADL3MBTL1NOD1
SCHEMBL8017621 0.85 CAD (0.38) KMT2APOLBCADL3MBTL1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020085843-A1 METHOD FOR PREDICTING PROGNOSIS OF ISCHEMIC DISEASE 가천대학교 산학협력단 2020-04-30 — — WO disclosed
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