SCHEMBL20122474

SCHEMBL20122474

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ FOLH1 Q04609 2/20 0.31
▸ NAALAD2 Q9Y3Q0 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MME P08473 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL20122513 0.83 — —
SCHEMBL20122503 0.83 — —
SCHEMBL20122458 0.83 ACE (0.47) ACEFOLH1MMEACE2
SCHEMBL20122457 0.83 ACE (0.46) ACEFOLH1MMEACE2
SCHEMBL20122501 0.82 — —
SCHEMBL20122384 0.81 — —
SCHEMBL11333699 0.78 PPARG (0.33) ACEMMEACE2
SCHEMBL11337774 0.78 CPB2 (0.36) ACEGRNSORT1ALDH1A1MME
SCHEMBL9623845 0.77 ACE (0.42) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL12308077 0.77 ALDH1A1 (0.53) ACEFOLH1NAALAD2ALDH1A1

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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