SCHEMBL29628816

SCHEMBL29628816

C[C@H](NC(=O)[C@H](CS)NC(=O)CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.46
MME P08473 10/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL29628831 0.90 PTGS1 (0.43) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL29628817 0.88 PTGS1 (0.42) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL29351196 0.85 MME (0.41) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL30676225 0.85 MME (0.41) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL929660 0.84 ACE (0.55) ACEMMESMN1; SMN2KDM4EMAPT
SCHEMBL31571457 0.83 LTA4H (0.43) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL29421960 0.83 ALDH1A1 (0.44) ACEMMECPA1ACE2MAPT
SCHEMBL30905095 0.82 GNPAT (0.44) ACEMMECPA1ACE2LTA4H
SCHEMBL7588867 0.81 PTGS1 (0.42) ACESMN1; SMN2KDM4EMAPTTHRB
SCHEMBL7588872 0.81 PTGS1 (0.42) ACESMN1; SMN2KDM4EMAPTTHRB

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
CN-107667113-B Cysteine-linked nanobody dimers engineered through the C-terminus 埃博灵克斯股份有限公司 2022-05-03 CN disclosed