SCHEMBL8024295

SCHEMBL8024295

O=C(O)CN(C(=O)C(CS)CCc1ccccc1)c1cccc(Cc2ccc(O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL8026798 0.95 ACE (0.39) ACE
SCHEMBL8023094 0.88 MMP1 (0.43) ACE
SCHEMBL8165378 0.84 ACE (0.47) ACE
SCHEMBL8167144 0.84 ACE (0.47) ACE
SCHEMBL8022583 0.81 FFAR1 (0.46)
SCHEMBL8023170 0.81 FFAR1 (0.42) ACE
SCHEMBL8010235 0.80 MMP12 (0.47)
SCHEMBL8161868 0.79 ACE (0.41) ACE
SCHEMBL8024511 0.79 TSHR (0.47)
SCHEMBL8159707 0.77 ACE (0.50) ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US claimed
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US disclosed