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Sugi Predict / Compounds / SCHEMBL29881615

SCHEMBL29881615

SCHEMBL29881615

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.47
▸ BACE1 P56817 17/20 0.46
▸ CTSD P07339 1/20 0.42
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL29683929 0.99 BACE1 (0.47) PTPN1BACE1CTSDBACE2
SCHEMBL29777847 0.93 BACE1 (0.49) PTPN1BACE1CTSDBACE2
SCHEMBL30770813 0.93 BACE1 (0.40) PTPN1BACE1CTSDBACE2
SCHEMBL30607941 0.92 BACE1 (0.41) PTPN1BACE1CTSD
SCHEMBL29511114 0.92 BACE1 (0.41) PTPN1BACE1CTSD
SCHEMBL30839281 0.91 PTPN1 (0.41) PTPN1BACE1CTSDBACE2
SCHEMBL30719918 0.90 BACE1 (0.44) PTPN1BACE1CTSDBACE2
SCHEMBL30799951 0.90 PTPN1 (0.42) PTPN1BACE1BACE2
SCHEMBL29777860 0.90 BACE1 (0.45) PTPN1BACE1CTSDBACE2
SCHEMBL30974137 0.90 BACE1 (0.49) PTPN1BACE1CTSDBACE2

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
EP-4257982-A2 BIOMARKERS FOR THE DIAGNOSIS OF LUNG CANCERS Liquid Lung DX (US) 2023-10-11 — — EP disclosed
US-20220275456-A1 DIFFERENTIATION MARKER GENE SET, METHOD, AND KIT FOR DIFFERENTIATING OR CLASSIFYING SUBTYPE OF BREAST CANCER Public University Corporation Fukushima Medical University (JP) 2022-09-01 — — US disclosed
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