Sugi Predict

Sugi Predict / Compounds / SCHEMBL29655540

SCHEMBL29655540

SCHEMBL29655540

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ ECE1 P42892 11/20 0.53
▸ ERAP2 Q6P179 2/20 0.53
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51

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
SCHEMBL31073596 0.97 ACE (0.59) ACEECE1ERAP2IL1RNERAP1
SCHEMBL30567414 0.93 ACE (0.55) ACEECE1ERAP2IL1RNERAP1
SCHEMBL29750395 0.91 ACE (0.59) ACEECE1ERAP2
SCHEMBL29470193 0.90 ACE (0.59) ACEECE1
SCHEMBL30838788 0.90 ACE (0.61) ACEECE1ERAP2
SCHEMBL29470184 0.89 ACE (0.68) ACEECE1ERAP2
SCHEMBL31571737 0.89 GHSR (0.59) ACEECE1ERAP2ERAP1
SCHEMBL31510664 0.88 GHSR (0.51) ACEECE1ERAP2
SCHEMBL30130525 0.88 ACE (0.55) ACEECE1ERAP2
SCHEMBL30988538 0.87 ERAP2 (0.56) ACEECE1ERAP2IL1RNERAP1

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-115212289-A Probiotic active peptide composition and application thereof 上海朗泰凯尔生物技术有限公司 2022-10-21 — — CN disclosed
CN-114621319-A Probiotic active peptide, active peptide composition and application thereof in preparation of products with anti-inflammatory and/or antioxidant effects 深圳科兴药业有限公司 2022-06-14 — — CN disclosed
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