SCHEMBL10944884

SCHEMBL10944884

CC(C)[C@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)SC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ACE P12821 8/20 0.46
▸ ACE2 Q9BYF1 4/20 0.46
▸ XIAP P98170 1/20 0.46
▸ MLX Q9UH92 1/20 0.46

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
SCHEMBL10939797 1.00 MEN1 (0.49) MEN1KMT2AACEACE2XIAP
SCHEMBL10939794 1.00 MEN1 (0.49) MEN1KMT2AACEACE2XIAP
SCHEMBL10944882 1.00 MEN1 (0.49) MEN1KMT2AACEACE2XIAP
SCHEMBL10942354 0.91 ACE (0.49) ACEACE2
SCHEMBL10940700 0.91 ACE (0.49) ACEACE2
SCHEMBL10942361 0.91 ACE (0.49) ACEACE2
SCHEMBL10940703 0.91 ACE (0.49) ACEACE2
SCHEMBL10940194 0.91 ACE (0.49) ACEACE2
SCHEMBL10940199 0.91 ACE (0.49) ACEACE2
SCHEMBL10942308 0.85 ACE (0.50) KMT2AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110225-B1 BIS-(BENZOYLTHIO)-CARBOXYLIC ACIDS, THEIR PREPARATION AND USE IN THE PRODUCTION OF ACTIVE INGREDIENTS BASF Aktiengesellschaft (DE) 1985-10-23 — — EP disclosed
US-4500467-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS BASF AKTIENGESELLSCAFT (DE) 1985-02-19 — — US disclosed
EP-0110224-A2 Benzoylthio compounds, their manufacture and use as medicines BASF Aktiengesellschaft (DE) 1984-06-13 — — EP disclosed
EP-0110225-A1 Bis-(benzoylthio)-carboxylic acids, their preparation and use in the production of active ingredients BASF Aktiengesellschaft (DE) 1984-06-13 — — EP disclosed
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