SCHEMBL30772214

SCHEMBL30772214

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 5/20 0.64
▸ ACE P12821 3/20 0.56
▸ IL1RN P18510 4/20 0.54
▸ ERAP1 Q9NZ08 3/20 0.54
▸ ECE1 P42892 7/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ MAGI3 Q5TCQ9 1/20 0.50
▸ MMP1 P03956 1/20 0.50

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
SCHEMBL31720351 0.95 ERAP2 (0.69) ERAP2ACEIL1RNERAP1ECE1
SCHEMBL30772212 0.90 ERAP2 (0.64) ERAP2ACEIL1RNERAP1ECE1
SCHEMBL29470184 0.90 ACE (0.68) ERAP2ACEECE1
SCHEMBL30574266 0.90 ERBB2 (0.56) ERAP2ERBB2
SCHEMBL7329450 0.89 ERBB2 (0.64) ERAP2IL1RNERAP1ERBB2
SCHEMBL8182752 0.89 ERBB2 (0.64) ERAP2IL1RNERAP1ERBB2
SCHEMBL7324578 0.89 ERBB2 (0.64) ERAP2IL1RNERAP1ERBB2
SCHEMBL9799753 0.88 ERAP2 (0.67) ERAP2ACEECE1
SCHEMBL30465920 0.88 ACE (0.64) ACEECE1
SCHEMBL9799741 0.88 ERAP2 (0.67) ERAP2ACEECE1

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-117599150-A Composition containing gamma-aminobutyric acid and probiotic active peptide and application of composition in preparation of anti-inflammatory product 深圳海创生物科技有限公司 2024-02-27 — — CN disclosed
CN-117599150-A Composition containing gamma-aminobutyric acid and probiotic active peptide and application of composition in preparation of anti-inflammatory product 深圳海创生物科技有限公司 2024-02-27 — — CN disclosed
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