SCHEMBL8025699

SCHEMBL8025699

O=C(O)[C@H]1CCCN1C(=O)C(CS)Cc1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.76
LTA4H P09960 6/20 0.71
ACE2 Q9BYF1 3/20 0.56
KDM4E B2RXH2 1/20 0.56
F2 P00734 1/20 0.56
REN P00797 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PEPD P12955 1/20 0.56
ALOX15 P16050 1/20 0.56
PTGS1 P23219 1/20 0.56
HTR2A P28223 1/20 0.56
PTGS2 P35354 1/20 0.56
HRH1 P35367 1/20 0.56
THPO P40225 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL7381708 1.00 ACE (0.76) ACELTA4HACE2KDM4EF2
SCHEMBL9554734 0.93 ACE (0.81) ACELTA4HACE2
SCHEMBL9554742 0.93 ACE (0.81) ACELTA4HACE2
SCHEMBL7377893 0.90 ACE (0.73) ACELTA4HACE2
SCHEMBL6787617 0.90 ACE (0.76) ACELTA4HACE2
SCHEMBL6787624 0.90 ACE (0.76) ACELTA4HACE2
SCHEMBL11563629 0.87 LTA4H (0.78) ACELTA4HACE2REN
SCHEMBL7315965 0.85 ACE (0.63) ACELTA4HACE2
SCHEMBL11560122 0.85 LTA4H (0.71) ACELTA4HACE2REN
SCHEMBL11558098 0.85 LTA4H (0.75) ACELTA4HACE2

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-6022885-A Pyrrolidine and thiazole derivatives with antibacterial and . metallo-.beta-lactamase inhibitory properties SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-08 US claimed