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Sugi Predict / Compounds / SCHEMBL29896010

SCHEMBL29896010

SCHEMBL29896010

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ BACE1 P56817 4/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ VIPR1 P32241 2/20 0.51
▸ F2 P00734 4/20 0.51
▸ CALCR P30988 4/20 0.51
▸ GLP1R P43220 3/20 0.51
▸ SCTR P47872 1/20 0.51
▸ VIPR2 P41587 2/20 0.50
▸ TFPI P10646 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
SCHEMBL29680033 0.96 F2 (0.53) CRHR1CRHR2VIPR1F2CALCR
SCHEMBL29663575 0.92 BACE1 (0.49) CRHR1CRHR2BACE1BACE2VIPR1
SCHEMBL30927574 0.92 NPY1R (0.50) CRHR1CRHR2F2TFPI
SCHEMBL29492578 0.91 BACE1 (0.54) BACE1BACE2VIPR1VIPR2
Histatin 3 SCHEMBL31694493 0.91 TFPI (0.63) VIPR1GLP1RSCTRVIPR2TFPI
SCHEMBL30176439 0.90 BACE1 (0.59) CRHR1CRHR2BACE1BACE2VIPR1
SCHEMBL30495644 0.89 VIPR1 (0.58) CRHR1CRHR2BACE1BACE2VIPR1
SCHEMBL31558578 0.89 GLP1R (0.49) CRHR1CRHR2BACE1VIPR1F2
SCHEMBL30799471 0.88 NPY4R (0.51) F2GLP1RSCTR
SCHEMBL30974374 0.88 CRHR1 (0.55) CRHR1CRHR2F2CALCRGLP1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989248-B Clinopodium polycephalum polypeptide with anti-inflammatory and antioxidant activities, and preparation method and application thereof 福州大学 2023-11-21 — — CN claimed
CN-114989248-A Clinacanthus nutans polypeptide with anti-inflammatory and antioxidant activities as well as preparation method and application thereof 福州大学 2022-09-02 — — CN claimed
CN-114989248-A Clinacanthus nutans polypeptide with anti-inflammatory and antioxidant activities as well as preparation method and application thereof 福州大学 2022-09-02 — — CN disclosed
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