SCHEMBL8522310

SCHEMBL8522310

O=C(CCS)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.61
▸ NAALAD2 Q9Y3Q0 1/20 0.59
▸ MME P08473 8/20 0.59
▸ FOLH1 Q04609 1/20 0.56
▸ CPA1 P15085 1/20 0.54
▸ ACE2 Q9BYF1 1/20 0.54
▸ EPHX2 P34913 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50

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
SCHEMBL9068704 0.88 ACE (0.62) ACENAALAD2MMECPA1ACE2
SCHEMBL22115354 0.87 ACE (0.47) ACENAALAD2MME
SCHEMBL4147877 0.86 NAALAD2 (0.61) ACENAALAD2MMEFOLH1CPA1
SCHEMBL29726740 0.86 NAALAD2 (0.69) ACENAALAD2MMEFOLH1CPA1
SCHEMBL4147882 0.86 NAALAD2 (0.61) ACENAALAD2MMEFOLH1CPA1
SCHEMBL11277926 0.85 CA2 (0.55) ACEMMEFOLH1CA1CA2
SCHEMBL4582086 0.85 CHRND (0.60) ACENAALAD2MMEFOLH1CPA1
SCHEMBL4629789 0.85 NAALAD2 (0.59) ACENAALAD2MMEFOLH1CA1
SCHEMBL4582092 0.85 CHRND (0.60) ACENAALAD2MMEFOLH1CPA1
SCHEMBL10824355 0.85 NAALAD2 (0.59) ACENAALAD2MMEFOLH1CA1

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
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 — — EP claimed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 — — WO claimed
Send feedback