SCHEMBL29778366

SCHEMBL29778366

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
EGFR P00533 1/20 0.41
ENPEP Q07075 5/20 0.41
GLO1 Q04760 1/20 0.40
BACE1 P56817 3/20 0.37
PTGS1 P23219 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.36

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
SCHEMBL29723030 0.92 MME (0.48) MMEACECPA1ACE2EGFR
SCHEMBL29778417 0.90 ENPEP (0.48) MMEACECPA1ACE2ENPEP
SCHEMBL30051655 0.88 MME (0.54) MMEACECPA1ACE2GLO1
SCHEMBL31571918 0.88 PTGS1 (0.51) MMEACECPA1ACE2EGFR
SCHEMBL31223214 0.82 ENPEP (0.54) ENPEPBACE1
SCHEMBL12496189 0.81 ENPEP (0.53) ENPEP
SCHEMBL7822201 0.81 ENPEP (0.53) ENPEP
SCHEMBL12496193 0.81 ENPEP (0.53) ENPEP
SCHEMBL8772366 0.81 ENPEP (0.55) ENPEPBACE1
SCHEMBL8772374 0.81 ENPEP (0.55) ENPEPBACE1

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
US-20240082183-A1 METHODS FOR PREVENTING OR TREATING CONDITIONS RELATED TO T CELL MEDIATED INTESTINAL DISORDERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-03-14 US disclosed
WO-2022150599-A1 METHODS FOR PREVENTING OR TREATING CONDITIONS RELATED TO T CELL MEDIATED INTESTINAL DISORDERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-07-14 WO disclosed