SCHEMBL21261748

SCHEMBL21261748

CC(O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.64
FOLH1 Q04609 1/20 0.62
MME P08473 9/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.55

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
SCHEMBL28531467 1.00 ACE (0.64) ACEFOLH1MMECPA1ACE2
SCHEMBL15730731 0.90 FOLH1 (0.68) ACEFOLH1MMECPA1ACE2
SCHEMBL21246823 0.88 ACE (0.68) ACEMMECPA1ACE2NAALAD2
SCHEMBL21246822 0.88 ACE (0.68) ACEMMECPA1ACE2NAALAD2
SCHEMBL2172104 0.85 ACE (0.60) ACEFOLH1MMECPA1ACE2
SCHEMBL4161387 0.84 ACE (0.62) ACEFOLH1MMECPA1ACE2
SCHEMBL4161392 0.84 ACE (0.62) ACEFOLH1MMECPA1ACE2
SCHEMBL4187321 0.83 FOLH1 (0.62) ACEFOLH1MMECPA1ACE2
SCHEMBL4179483 0.83 FOLH1 (0.62) ACEFOLH1MMECPA1ACE2
SCHEMBL18222587 0.82 ACE (0.64) ACEFOLH1MMECPA1ACE2

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
CN-108017555-B Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof 郑州海斯威生物技术有限公司 2021-03-26 CN disclosed
WO-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 WO disclosed