SCHEMBL8772453

SCHEMBL8772453

CC(=O)S[C@@H]1[C@H](Br)C(=O)N1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.37
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8441250 0.80 ACE (0.37) ACEKDM4ENPSR1
SCHEMBL10367995 0.66 ACE (0.60) ACE
SCHEMBL5547511 0.62 ACE (0.31) ACEKDM4E
SCHEMBL8104141 0.60 KDM4E (0.35) ACEKDM4ENPSR1
SCHEMBL18106803 0.59 L3MBTL1 (0.43) ACEKDM4ENPSR1
SCHEMBL11621452 0.56 ACE (0.40) ACE
SCHEMBL8808741 0.56
SCHEMBL10371338 0.54 ACE (0.64) ACE
SCHEMBL24773837 0.51 CA12 (0.50) KDM4E
SCHEMBL435819 0.50

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed