SCHEMBL3087564

SCHEMBL3087564

CCOP(=O)(CN[C@@H](Cc1ccc(O)cc1)C(=O)O)OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
MME P08473 5/20 0.46
ACE P12821 4/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
FPR2 P25090 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LNPEP Q9UIQ6 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL3103119 0.89 FPR2 (0.54) MMEACECPA1ACE2FPR2
SCHEMBL3090770 0.88 ACE (0.44) FOLH1MMEACECPA1ACE2
SCHEMBL29940571 0.82 FOLH1 (0.50) FOLH1MMEACECPA1ACE2
SCHEMBL2996598 0.80 MME (0.56) FOLH1MMEACENAALAD2CA1
SCHEMBL2989598 0.80 MME (0.56) FOLH1MMEACENAALAD2CA1
SCHEMBL3098284 0.79 FPR2 (0.52) FPR2CA1CA12CA9LNPEP
SCHEMBL1287829 0.78 FOLH1 (0.61) FOLH1MMEACECPA1ACE2
SCHEMBL547122 0.78 FOLH1 (0.61) FOLH1MMEACECPA1ACE2
SCHEMBL547121 0.78 FOLH1 (0.61) FOLH1MMEACECPA1ACE2
SCHEMBL7413312 0.77 MME (0.45) MMEACECPA1ACE2

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