SCHEMBL4889762

SCHEMBL4889762

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC[C@H](N)Cc3ccc(O)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.43
ACACB O00763 3/20 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
SCHEMBL4889748 1.00 ERAP2 (0.43) ERAP2ACACB
SCHEMBL461810 0.86 ERAP2 (0.54) ERAP2ACACB
SCHEMBL402916 0.83
SCHEMBL405116 0.80 ACACB (0.49) ERAP2ACACB
SCHEMBL437218 0.79 ERAP2 (0.47) ERAP2ACACB
SCHEMBL404941 0.78 ACACB (0.49) ACACB
SCHEMBL22797063 0.78 ACACB (0.48) ACACB
SCHEMBL405551 0.77
SCHEMBL400779 0.77 ACACB (0.46) ACACB
SCHEMBL10286738 0.77 ERAP2 (0.56) ERAP2

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed