SCHEMBL8078091

SCHEMBL8078091

O=C(C[C@H](NOCc1ccccc1)C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.56
ECE1 P42892 1/20 0.54
GPR132 Q9UNW8 1/20 0.52
GPR34 Q9UPC5 4/20 0.52
MME P08473 1/20 0.50
NOS2 P35228 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL8078197 0.91 ATM (0.53) ACELMNA
SCHEMBL7211707 0.87 MME (0.51) GPR132MMENPSR1
SCHEMBL6130478 0.87 MME (0.51) GPR132MMENPSR1
SCHEMBL6130477 0.87 MME (0.51) GPR132MMENPSR1
SCHEMBL8085158 0.82 ITGB3 (0.60) ACEECE1MME
SCHEMBL2559773 0.82 GAA (0.50) ECE1MME
SCHEMBL2559768 0.82 GAA (0.50) ECE1MME
SCHEMBL9417473 0.81 GPR34 (0.62) ACEGPR132GPR34MMENOS2
SCHEMBL29664067 0.81 MME (0.56) ACEECE1MME
SCHEMBL28216930 0.81 MME (0.56) ACEECE1MME

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-0510552-B2 Preparation process of alpha-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 2000-11-15 EP claimed