SCHEMBL7747285

SCHEMBL7747285

CCC(C)(CC)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.49
ACE P12821 4/20 0.48
CPA1 P15085 4/20 0.48
ACE2 Q9BYF1 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 10/20 0.45
MMP1 P03956 4/20 0.45
MMP3 P08254 4/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL7597065 0.90 ALDH1A1 (0.52)
SCHEMBL6904234 0.90 MME (0.52) MMEACECPA1ACE2L3MBTL1
SCHEMBL759233 0.90 MME (0.52) MMEACECPA1ACE2L3MBTL1
SCHEMBL5691576 0.90 MME (0.52) MMEACECPA1ACE2L3MBTL1
SCHEMBL4961026 0.83 MME (0.49) MMEACECPA1ACE2
SCHEMBL1081960 0.82 MMP2 (0.56) MMEACECPA1ACE2MMP2
SCHEMBL7743249 0.80 NPSR1 (0.44) MMEACECPA1ACE2L3MBTL1
SCHEMBL7602371 0.80 ALDH1A1 (0.45) MMP2MMP1MMP3
SCHEMBL4311 0.80 ALDH1A1 (0.55)
SCHEMBL12829570 0.80 ALDH1A1 (0.55)

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
WO-2001009168-A1 A METHOD FOR THE PURIFICATION OF N-[N-(3,3-DIMETHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER THE NUTRASWEET COMPANY (US) 2001-02-08 WO disclosed