SCHEMBL16770399

SCHEMBL16770399

O=C(O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)OCCCCO

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 20/20 0.67
▸ ACE P12821 14/20 0.67

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
SCHEMBL16768805 0.87 MME (0.61) MMEACE
SCHEMBL16770396 0.85 CTSS (0.49) MMEACE
SCHEMBL14890376 0.81 MME (1.00) MMEACE
SCHEMBL14900565 0.81 MME (1.00) MMEACE
SCHEMBL16770404 0.81 MME (0.60) MME
SCHEMBL18597847 0.81 MME (0.74) MMEACE
SCHEMBL14890685 0.81 MME (0.74) MMEACE
SCHEMBL18175795 0.76 MME (0.48) MMEACE
SCHEMBL16768806 0.76 HDAC1 (0.53) MMEACE
SCHEMBL18597848 0.76 MME (0.73) MMEACE

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
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 — — US disclosed
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