SCHEMBL27857032

SCHEMBL27857032

C[C@H](NCl)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CA2 P00918 5/20 0.45
CA1 P00915 4/20 0.45
NOD1 Q9Y239 1/20 0.43
FOLH1 Q04609 4/20 0.43
ECE1 P42892 1/20 0.41
BMP1 P13497 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
RIMKLA Q8IXN7 1/20 0.41
PRSS1 P07477 2/20 0.40
TMPRSS15 P98073 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL19177556 0.89 KMT2A (0.43) KMT2ACA2CA1NOD1FOLH1
SCHEMBL15017971 0.87 GNPAT (0.44) KMT2ACA2CA1NOD1FOLH1
SCHEMBL156956 0.87 GNPAT (0.44) KMT2ACA2CA1NOD1FOLH1
SCHEMBL19177222 0.87 GNPAT (0.44) KMT2ACA2CA1NOD1FOLH1
SCHEMBL156957 0.87 GNPAT (0.44) KMT2ACA2CA1NOD1FOLH1
SCHEMBL23859821 0.86 KMT2A (0.43) KMT2ACA2CA1NOD1FOLH1
SCHEMBL1692049 0.86 NOD1 (0.54) KMT2ACA2CA1NOD1FOLH1
SCHEMBL4281665 0.86 NOD1 (0.54) KMT2ACA2CA1NOD1FOLH1
SCHEMBL19177451 0.86 KMT2A (0.43) KMT2ACA2CA1NOD1FOLH1
SCHEMBL31376473 0.86 NOD1 (0.54) KMT2ACA2CA1NOD1FOLH1

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-102491918-B Alanyl glutamine compound and preparation method thereof HAINAN LINGKANG PHARMACEUTICAL 2013-07-10 CN disclosed
CN-102491918-A Alanyl glutamine compound and preparation method thereof HAINAN LINGKANG PHARMACEUTICAL 2012-06-13 CN disclosed