SCHEMBL29605022

SCHEMBL29605022

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.49
▸ CTSD P07339 4/20 0.49
▸ BACE2 Q9Y5Z0 3/20 0.43
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL29695472 0.86 BACE1 (0.46) BACE1CTSDBACE2OPRD1
SCHEMBL29660915 0.84 DPP4 (0.54) BACE1CTSDBACE2
SCHEMBL29590436 0.84 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL9348776 0.83 FOLH1 (0.43) BACE1CTSD
SCHEMBL9348762 0.83 FOLH1 (0.43) BACE1CTSD
SCHEMBL30974202 0.82 BACE1 (0.46) BACE1CTSD
SCHEMBL30658580 0.82 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30658555 0.82 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30658571 0.82 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL31676647 0.82 FOLH1 (0.51) BACE1CTSD

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-114409734-B Self-assembled short peptide capable of inducing biomineralization of local anesthetic and long-acting local anesthetic and analgesic pharmaceutical preparation prepared from self-assembled short peptide 四川大学华西医院 2023-05-12 — — CN disclosed
CN-114409734-A Self-assembled short peptide capable of inducing biomineralization of local anesthetic and long-acting local anesthetic and analgesic medicinal preparation prepared from self-assembled short peptide 四川大学华西医院 2022-04-29 — — CN disclosed
Send feedback