SCHEMBL20122563

SCHEMBL20122563

COC(=O)[C@H](CSC(=O)OCc1oc(=O)oc1C)NC(=O)C(C)(C)S

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL20122441 0.95 MME (0.31) MMEACEACE2
SCHEMBL20122559 0.93 CYP1A2 (0.33) —
SCHEMBL20122560 0.92 CYP1A2 (0.31) —
SCHEMBL20122450 0.92 ACE (0.37) MMEACEACE2
SCHEMBL20122564 0.91 — —
SCHEMBL20122437 0.89 — —
SCHEMBL20122547 0.87 — —
SCHEMBL20122491 0.86 ACE (0.36) MMEACEACE2
SCHEMBL20122493 0.86 ACE (0.39) MMEACEACE2
SCHEMBL20122364 0.86 — —

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-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 — — US disclosed
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