SCHEMBL31575699

SCHEMBL31575699

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.53
▸ CTSD P07339 4/20 0.53
▸ DPP4 P27487 2/20 0.49
▸ DPP8 Q6V1X1 2/20 0.49
▸ DPP9 Q86TI2 2/20 0.49
▸ ECE1 P42892 2/20 0.47
▸ FOLH1 Q04609 3/20 0.45
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ BACE2 Q9Y5Z0 1/20 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
SCHEMBL29816325 1.00 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30847600 0.96 BACE1 (0.52) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30974319 0.96 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31571446 0.95 BACE1 (0.58) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29630491 0.91 FOLH1 (0.49) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30060796 0.91 DPP4 (0.52) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30261690 0.90 FOLH1 (0.51) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30473801 0.90 FOLH1 (0.57) BACE1CTSDDPP4DPP8DPP9
SCHEMBL3422138 0.89 DPP4 (0.56) BACE1CTSDDPP4DPP8DPP9
SCHEMBL537149 0.89 DPP4 (0.56) BACE1CTSDDPP4DPP8DPP9

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-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN disclosed
Send feedback