Sugi Predict

Sugi Predict / Compounds / SCHEMBL31313312

SCHEMBL31313312

SCHEMBL31313312

CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ BACE1 P56817 9/20 0.46
▸ CTSD P07339 3/20 0.46
▸ VIPR1 P32241 1/20 0.43
▸ RAMP3 O60896 3/20 0.43
▸ CALCR P30988 3/20 0.43

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
SCHEMBL30140914 0.91 BACE1 (0.48) BACE1CTSD
SCHEMBL31031508 0.90 NPY4R (0.40) SIRT2SIRT5BACE1CTSDVIPR1
SCHEMBL31031537 0.90 NPY4R (0.44) SIRT2SIRT5BACE1CTSD
SCHEMBL30228743 0.89 NPY4R (0.44) BACE1CTSDVIPR1
SCHEMBL29994008 0.89 NPY4R (0.42) SIRT2SIRT5BACE1CTSD
SCHEMBL31674373 0.89 NPY4R (0.44) BACE1CTSD
SCHEMBL29636356 0.89 NPY4R (0.48) SIRT2SIRT5BACE1CTSD
SCHEMBL3074240 0.89 NPY4R (0.48) SIRT2SIRT5BACE1CTSD
SCHEMBL3074247 0.89 NPY4R (0.48) SIRT2SIRT5BACE1CTSD
SCHEMBL29914216 0.88 BACE1 (0.48) BACE1VIPR1

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-119431503-A Rhizobium polypeptide and application thereof in pseudo-ginseng planting 云南农业大学 2025-02-14 — — CN claimed
CN-119431503-A Rhizobium polypeptide and application thereof in pseudo-ginseng planting 云南农业大学 2025-02-14 — — CN disclosed
CN-119431503-A Rhizobium polypeptide and application thereof in pseudo-ginseng planting 云南农业大学 2025-02-14 — — CN disclosed