SCHEMBL30475520

SCHEMBL30475520

CC[C@H](C)[C@H](NN[C@@H](Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.59
MME P08473 10/20 0.59
CPA1 P15085 10/20 0.59
ACE2 Q9BYF1 10/20 0.59
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL30411925 0.86 LMNA (0.50) ACEMMECPA1ACE2LMNA
SCHEMBL29601051 0.83 LMNA (0.52) ACEMMECPA1ACE2LMNA
SCHEMBL157547 0.82 MME (0.61) ACEMMECPA1ACE2
SCHEMBL8823249 0.81 MME (0.54) ACEMMECPA1ACE2LMNA
SCHEMBL2780445 0.81 LMNA (0.54) ACEMMECPA1ACE2LMNA
SCHEMBL2780446 0.81 LMNA (0.54) ACEMMECPA1ACE2LMNA
SCHEMBL25284015 0.78 MME (0.62) ACEMMECPA1ACE2LMNA
SCHEMBL28286750 0.78 MME (0.62) ACEMMECPA1ACE2LMNA
SCHEMBL15692294 0.78 MME (0.57) ACEMMECPA1ACE2
SCHEMBL15692326 0.78 ACE (0.68) ACEMMECPA1ACE2

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
WO-2024195825-A1 CEREBRAL ATROPHY ASSESSMENT METHOD USING BLOOD METABOLOME 味の素株式会社 2024-09-26 WO disclosed
WO-2023130538-A1 TRACE SAMPLE-BASED METHOD FOR HIGH-THROUGHPUT RECOGNITION OF TRACE ORGANIC POLLUTANTS IN BLOOD 南京大学 2023-07-13 WO disclosed