SCHEMBL20122457

SCHEMBL20122457

CC(C)C(=O)SC[C@H](NC(=O)C(C)(C)S)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.46
▸ MME P08473 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ FOLH1 Q04609 2/20 0.33

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
SCHEMBL20122455 0.84 ACE (0.48) ACEMMEACE2FOLH1
SCHEMBL20122474 0.83 ACE (0.32) ACEMMEACE2FOLH1
SCHEMBL11198946 0.83 ACE (0.47) ACEMMEACE2FOLH1
SCHEMBL24359897 0.82 ACE (0.51) ACEMMEACE2FOLH1
SCHEMBL20122463 0.79 ACE (0.40) ACEMMEACE2FOLH1
SCHEMBL20122406 0.79 ACE (0.44) ACEMMEACE2FOLH1
SCHEMBL20122440 0.78 ACE (0.39) ACEMMEACE2FOLH1
SCHEMBL20122577 0.78 ACE (0.39) ACEMMEACE2FOLH1
SCHEMBL12308077 0.78 ALDH1A1 (0.53) ACEFOLH1
SCHEMBL8580626 0.78 ACE (0.42) ACEFOLH1

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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