SCHEMBL8023170

SCHEMBL8023170

O=C(O)CN(C(=O)C(CS)CCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
GNA15 P30679 1/20 0.42
PTGER3 P43115 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAGLA Q9Y4D2 1/20 0.41
ACE P12821 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL8022292 0.94 LPAR1 (0.42)
SCHEMBL8010442 0.90 MMP12 (0.44) FFAR1ACEMMP12MMP13
SCHEMBL8022583 0.89 FFAR1 (0.46) FFAR1MMP12
SCHEMBL8165378 0.86 ACE (0.47) ACE
SCHEMBL8167144 0.86 ACE (0.47) ACE
SCHEMBL8026798 0.85 ACE (0.39) ACE
SCHEMBL8024511 0.84 TSHR (0.47) FFAR1PTGER3
SCHEMBL8023084 0.84 MRGPRX4 (0.49) FFAR1
SCHEMBL8023094 0.82 MMP1 (0.43) ACEMMP13
SCHEMBL8010527 0.81 TSPO (0.40) FFAR1MMP12MMP13

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 6 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
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP claimed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO 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