SCHEMBL30350402

SCHEMBL30350402

CC(=O)NCSC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.48
▸ GNPAT O15228 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ ACE P12821 5/20 0.46
▸ CPA1 P15085 5/20 0.46
▸ ACE2 Q9BYF1 5/20 0.46
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30918316 0.91 ACE (0.47) MMEACECPA1ACE2
SCHEMBL30350532 0.83 LTA4H (0.47) MMEACECPA1ACE2
SCHEMBL30350406 0.79 NPSR1 (0.52) MMEACECPA1ACE2NPSR1
SCHEMBL29376429 0.78 MME (0.61) MMEACECPA1ACE2NPSR1
SCHEMBL8469109 0.78 MME (0.57) MMEMMP1MMP3ACECPA1
SCHEMBL1329567 0.74 MME (0.67) MMEACECPA1ACE2NPSR1
SCHEMBL5065345 0.74 MME (0.67) MMEACECPA1ACE2NPSR1
SCHEMBL30581391 0.74 MME (0.67) MMEACECPA1ACE2NPSR1
SCHEMBL825577 0.74 MME (0.67) MMEACECPA1ACE2NPSR1
SCHEMBL30581399 0.74 MME (0.67) MMEACECPA1ACE2NPSR1

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-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 — — CN claimed
CN-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 — — CN disclosed
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