SCHEMBL30905101

SCHEMBL30905101

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.54
▸ DPP8 Q6V1X1 1/20 0.54
▸ DPP9 Q86TI2 1/20 0.54
▸ ENPEP Q07075 5/20 0.51
▸ BACE1 P56817 8/20 0.47
▸ CTSD P07339 2/20 0.46
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ GNPAT O15228 1/20 0.45
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GSR P00390 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ SLC1A3 P43003 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
SCHEMBL29843968 1.00 DPP4 (0.54) DPP4DPP8DPP9ENPEPBACE1
SCHEMBL31064913 0.99 DPP4 (0.52) DPP4DPP8DPP9ENPEPBACE1
SCHEMBL10890490 0.96 BACE1 (0.52) DPP4DPP8DPP9ENPEPBACE1
SCHEMBL10890506 0.96 BACE1 (0.52) DPP4DPP8DPP9ENPEPBACE1
SCHEMBL29777725 0.93 BACE1 (0.53) DPP4DPP8DPP9ENPEPBACE1
SCHEMBL31571448 0.92 BACE1 (0.55) DPP4DPP8DPP9ENPEPBACE1
SCHEMBL30659524 0.91 DPP4 (0.56) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30193395 0.91 DPP4 (0.56) DPP4DPP8DPP9BACE1CTSD
SCHEMBL1674757 0.91 DPP4 (0.54) DPP4DPP8DPP9ENPEPGNPAT
SCHEMBL29517676 0.91 DPP4 (0.54) DPP4DPP8DPP9ENPEPGNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117844819-A ZmSht1 gene and application thereof in improving high-temperature-resistant strong light stress of corn 安徽农业大学 2024-04-09 — — CN disclosed
Send feedback