SCHEMBL8761933

SCHEMBL8761933

C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
LTA4H P09960 2/20 0.41
MMP2 P08253 7/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 1/20 0.40
PTPN1 P18031 2/20 0.40
OPRD1 P41143 2/20 0.39
MME P08473 2/20 0.39

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
SCHEMBL8761910 0.84 POLB (0.47) DPP4DPP8LTA4HMMP9MMP8
SCHEMBL8761863 0.84 MMP9 (0.57) LTA4HMMP2MMP3MMP9MMP8
SCHEMBL9116086 0.84 LTA4H (0.45) LTA4HMMP2MMP3MMP9MMP8
SCHEMBL8761898 0.84 MMP9 (0.57) LTA4HMMP2MMP3MMP9MMP8
SCHEMBL8762366 0.81 KDM4E (0.49) DPP4DPP8LTA4HMMP2MMP3
SCHEMBL8760779 0.79 GPR88 (0.44)
SCHEMBL10452632 0.78 DPP4 (0.36) DPP4DPP8LTA4HMMP2MMP3
SCHEMBL8649887 0.78 MMP2 (0.49) LTA4HMMP2MMP3MMP9
SCHEMBL9114276 0.78 SMYD3 (0.46) LTA4H
SCHEMBL8760770 0.77 LTA4H (0.53) LTA4HMAPTMME

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286509-A L-aspartyl-D-α-aminoalkanoyl-(S)-N-alpha-alkylbenzyl amides useful as artificial sweeteners THE COCA-COLA COMPANY (US) 1994-02-15 US claimed
EP-0779296-A2 D-alpha-aminoalkanoyl-(S)-N-alpha-alkylbenzyl amides useful as intermediates for artificial sweeteners THE COCA-COLA COMPANY (US) 1997-06-18 EP disclosed
WO-1995017418-A2 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF L-ASPARTYL-D-α-AMINOALKANOYL-(S)-N-α-ALKYLBENZYL AMIDES USEFUL AS ARTIFICIAL SWEETENERS THE COCA-COLA COMPANY (US) 1995-06-29 WO disclosed
US-5286509-A L-aspartyl-D-α-aminoalkanoyl-(S)-N-alpha-alkylbenzyl amides useful as artificial sweeteners THE COCA-COLA COMPANY (US) 1994-02-15 US disclosed