SCHEMBL3091869

SCHEMBL3091869

NC(=O)NCCCC[C@H](NCP(=O)(O)O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
OTC P00480 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SIRT5 Q9NXA8 2/20 0.34
ALB P02768 1/20 0.33
C3AR1 Q16581 1/20 0.32
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
FOLH1 Q04609 2/20 0.31

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
SCHEMBL3100823 0.95 OTC (0.39) CA12CA1CA2CA9OTC
SCHEMBL3100850 0.95 OTC (0.39) CA12CA1CA2CA9OTC
SCHEMBL27764519 0.89 C3AR1 (0.41) CA12CA1CA2CA9OTC
SCHEMBL2989505 0.89 C3AR1 (0.41) CA12CA1CA2CA9OTC
SCHEMBL3097987 0.88 ALOX15 (0.36) CA12CA1CA2CA9OTC
SCHEMBL3109216 0.86 ANPEP (0.34)
SCHEMBL2989750 0.84 C3AR1 (0.45) OTCFNTAFNTBC3AR1FOLH1
SCHEMBL2989744 0.84 C3AR1 (0.45) OTCFNTAFNTBC3AR1FOLH1
SCHEMBL2992625 0.83 OTC (0.37) CA12CA1CA2CA9OTC
SCHEMBL3091575 0.83 OTC (0.37) CA12CA1CA2CA9OTC

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed