SCHEMBL1710876

SCHEMBL1710876

CC(C)(C=O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.47
▸ CPB2 Q96IY4 11/20 0.43
▸ GSR P00390 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RNPEP Q9H4A4 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
SCHEMBL29187387 0.84 FOLH1 (0.57) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL13049083 0.84 FOLH1 (0.57) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL18741275 0.83 FOLH1 (0.55) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL29918590 0.83 FOLH1 (0.55) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL18741276 0.83 FOLH1 (0.55) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL22689972 0.81 FOLH1 (0.54) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL22689833 0.81 FOLH1 (0.54) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7165076 0.79 FOLH1 (0.50) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL27509822 0.79 FOLH1 (0.58) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7165075 0.79 FOLH1 (0.50) FOLH1SLC6A5CPB2GSRCA1

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
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 — — EP disclosed
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