SCHEMBL7743249

SCHEMBL7743249

CC(C)(CCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
MME P08473 8/20 0.43
ACE P12821 8/20 0.41
CPA1 P15085 5/20 0.41
ACE2 Q9BYF1 5/20 0.41
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL6535675 0.93 L3MBTL1 (0.44) NPSR1MMEACECPA1ACE2
SCHEMBL4961758 0.92 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4968912 0.90 ALOX15 (0.46) NPSR1MMEACEALDH1A1
SCHEMBL28122161 0.90 ALOX15 (0.46) NPSR1MMEACEALDH1A1
SCHEMBL4960910 0.90 MME (0.45) MMEACEALDH1A1
SCHEMBL4961026 0.89 MME (0.49) NPSR1MMEACECPA1ACE2
SCHEMBL4960954 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4966873 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL16399541 0.83 ALDH1A1 (0.45) ALDH1A1
SCHEMBL440001 0.83 ALDH1A1 (0.45) ALDH1A1

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-2001025261-A1 ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENING AGENTS AJINOMOTO CO., INC. (JP) 2001-04-12 WO disclosed