SCHEMBL16770396

SCHEMBL16770396

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ MME P08473 14/20 0.47
▸ ACE P12821 8/20 0.47
▸ APP P05067 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ MMEL1 Q495T6 1/20 0.42

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
SCHEMBL18175793 0.88 CTSS (0.46) CTSSCTSKATMMMEACE
SCHEMBL9974745 0.87 MME (0.61) CTSSCTSKATMMMEACE
SCHEMBL18597975 0.87 MME (0.61) CTSSCTSKATMMMEACE
SCHEMBL9974741 0.87 MME (0.61) CTSSCTSKATMMMEACE
SCHEMBL9963896 0.87 MME (0.61) CTSSCTSKATMMMEACE
SCHEMBL16770399 0.85 MME (0.67) MMEACE
SCHEMBL9929551 0.84 MME (0.66) CTSSCTSKATMMMEACE
SCHEMBL18668834 0.80 CTSS (0.58) CTSSCTSKATMACEAPP
SCHEMBL21074186 0.80 CTSS (0.58) CTSSCTSKATMACEAPP
SCHEMBL1531592 0.80 CTSS (0.62) CTSSCTSKATMMMEACE

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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