SCHEMBL11036772

SCHEMBL11036772

O=C(CC[C@H](NCc1ccccc1)C(=O)O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.57
▸ MME P08473 1/20 0.54
▸ ACE P12821 9/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48
▸ CAPN1 P07384 1/20 0.47

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
SCHEMBL11036773 0.86 NAALAD2 (0.67) NAALAD2MMEACEFOLH1
SCHEMBL6065430 0.85 MME (0.58) NAALAD2MMEACEALDH1A1FOLH1
SCHEMBL6716497 0.85 MME (0.58) NAALAD2MMEACEALDH1A1FOLH1
SCHEMBL121371 0.85 MME (0.58) NAALAD2MMEACEALDH1A1FOLH1
SCHEMBL11346818 0.85 MME (0.58) NAALAD2MMEACEALDH1A1FOLH1
SCHEMBL121370 0.85 MME (0.58) NAALAD2MMEACEALDH1A1FOLH1
SCHEMBL4147417 0.83 ITGB3 (0.62) NAALAD2MMEACEFOLH1
SCHEMBL4147927 0.83 ITGB3 (0.62) NAALAD2MMEACEFOLH1
SCHEMBL4147924 0.83 ITGB3 (0.62) NAALAD2MMEACEFOLH1
SCHEMBL4147413 0.83 ITGB3 (0.62) NAALAD2MMEACEFOLH1

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
JP-59130253-A — — None — — JP disclosed
JP-S59130253-A NOVEL GLUTAMIC ACID DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1984-07-26 — — JP disclosed
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