SCHEMBL30717683

SCHEMBL30717683

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.61
▸ CTSD P07339 1/20 0.60
▸ BACE2 Q9Y5Z0 2/20 0.55
▸ KISS1R Q969F8 3/20 0.53

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
SCHEMBL31307282 0.96 BACE1 (0.58) BACE1CTSDBACE2KISS1R
SCHEMBL29860042 0.91 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30717710 0.91 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL31474354 0.90 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL6377728 0.90 BACE1 (0.61) BACE1CTSDBACE2KISS1R
SCHEMBL6377734 0.90 BACE1 (0.61) BACE1CTSDBACE2KISS1R
SCHEMBL38658486 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30799501 0.89 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL38657802 0.88 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL38658250 0.88 BACE1 (0.58) BACE1CTSDBACE2

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-117143185-A Anglerfish skin peptide for resisting lipid nephrotoxicity, and preparation method and application thereof 浙江海洋大学 2023-12-01 — — CN disclosed
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