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Sugi Predict / Compounds / SCHEMBL29695612

SCHEMBL29695612

SCHEMBL29695612

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.67
▸ BACE2 Q9Y5Z0 5/20 0.64
▸ CTSD P07339 2/20 0.61

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
SCHEMBL38659224 0.91 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL38658528 0.91 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL38657802 0.89 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL38658247 0.89 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL38658250 0.89 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL38658486 0.89 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL29860042 0.88 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL29860241 0.88 OPRM1 (0.60) BACE1BACE2CTSD
SCHEMBL30717683 0.88 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL38659301 0.88 BACE1 (0.63) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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