SCHEMBL8010442

SCHEMBL8010442

O=C(O)CN(C(=O)C(CS)CCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NR3C1 P04150 1/20 0.43
ACE P12821 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL8023170 0.90 FFAR1 (0.42) MMP12MMP13FFAR1ACE
SCHEMBL8167144 0.89 ACE (0.47) ACE
SCHEMBL8165378 0.89 ACE (0.47) ACE
SCHEMBL8020340 0.89 MMP12 (0.48) MMP12FFAR1
SCHEMBL8024336 0.88 FFAR1 (0.50) MMP12FFAR1
SCHEMBL8022292 0.87 LPAR1 (0.42)
SCHEMBL8010235 0.85 MMP12 (0.47) MMP12FFAR1
SCHEMBL8010527 0.84 TSPO (0.40) MMP12MMP13FFAR1
SCHEMBL8024699 0.84 FFAR1 (0.43) MMP12FFAR1
SCHEMBL8026644 0.83 NOX1 (0.52) MMP12FFAR1

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 4 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
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO disclosed