SCHEMBL18175793

SCHEMBL18175793

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ MME P08473 13/20 0.45
▸ ACE P12821 8/20 0.45
▸ ATM Q13315 1/20 0.45
▸ APP P05067 1/20 0.41
▸ BCL2 P10415 2/20 0.40
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL15537926 0.88 MME (0.47) MMEACE
SCHEMBL16770396 0.88 CTSS (0.49) CTSSCTSKMMEACEATM
SCHEMBL16768805 0.86 MME (0.61) MMEACE
SCHEMBL9963896 0.83 MME (0.61) CTSSCTSKMMEACEATM
SCHEMBL9974741 0.83 MME (0.61) CTSSCTSKMMEACEATM
SCHEMBL9974745 0.83 MME (0.61) CTSSCTSKMMEACEATM
SCHEMBL18597975 0.83 MME (0.61) CTSSCTSKMMEACEATM
SCHEMBL3303326 0.82 CTSS (0.53) CTSSCTSKACEATM
SCHEMBL3303330 0.82 CTSS (0.53) CTSSCTSKACEATM
SCHEMBL17164946 0.81 MME (0.50) 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
EP-2855464-B1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-10-26 — — EP disclosed
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