SCHEMBL8808935

SCHEMBL8808935

COc1ccc(COC(=O)C2=CS[C@H]3N2C(=O)C3(Br)COC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8805704 0.86 MMP1 (0.42) MMP1MMP9RXFP1
SCHEMBL8806989 0.86 MMP1 (0.42) MMP1MMP9RXFP1
SCHEMBL8809738 0.75 ELANE (0.33) ELANEMMP1MMP9
SCHEMBL8888422 0.74 MMP1 (0.43) ELANEMMP1MMP9RXFP1
SCHEMBL8807239 0.74 MMP1 (0.43) ELANEMMP1MMP9RXFP1
SCHEMBL2923216 0.74 MMP1 (0.43) ELANEMMP1MMP9RXFP1
SCHEMBL7172605 0.74 MMP1 (0.43) ELANEMMP1MMP9RXFP1
SCHEMBL8807243 0.74 MMP1 (0.43) ELANEMMP1MMP9RXFP1
SCHEMBL9384795 0.73 ELANE (0.44) ELANEMMP1MMP9
SCHEMBL8386728 0.72 TSHR (0.33) ELANERXFP1

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-0232966-B1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1997-10-08 EP disclosed
EP-0232966-A1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1987-08-19 EP disclosed