SCHEMBL3098952

SCHEMBL3098952

CCOP(=O)(CN[C@@H](CCCCN)C(=O)O)OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
SLC6A5 Q9Y345 1/20 0.40
GSR P00390 1/20 0.38
TLR2 O60603 2/20 0.37
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 8/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
GGT1 P19440 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3105822 0.96 FOLH1 (0.37) FOLH1SLC6A5GSRTLR2CPB2
SCHEMBL3091681 0.89 FPR2 (0.36) FOLH1SLC6A5TLR2CPB2SIRT6
SCHEMBL3095596 0.89 CPB2 (0.36) FOLH1SLC6A5TLR2CPB2SIRT6
SCHEMBL3105775 0.84 FPR2 (0.37) FOLH1TLR2CPB2MMP9SIRT6
SCHEMBL3099111 0.84 CYP1A2 (0.33) CPB2SIRT6SIRT1CA12CA1
SCHEMBL3091646 0.84 CA12 (0.40) FOLH1TLR2SIRT6SIRT1CA12
SCHEMBL3098722 0.83 FPR2 (0.43) FOLH1CA12CA1CA2CA9
SCHEMBL3097853 0.82 C3AR1 (0.43) FOLH1CA12CA1CA2CA9
SCHEMBL3091741 0.82 PPARD (0.43) CA12CA1CA2CA9
SCHEMBL3103245 0.82 CA12 (0.38) FOLH1TLR2SIRT6SIRT1CA12

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