SCHEMBL9548487

SCHEMBL9548487

CCC1C(CSc2ccncc2)=C(C(=O)OCc2ccc(OC)cc2)N2C(=O)[C@H](C(C)O)[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.44
F10 P00742 1/20 0.34
GRM2 Q14416 1/20 0.33
TBXAS1 P24557 3/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL9548456 0.92 ELANE (0.38) ELANEF10GRM2TBXAS1MMP1
SCHEMBL9548455 0.91 ELANE (0.42) ELANEF10GRM2TBXAS1MMP1
SCHEMBL9689243 0.77 ELANE (0.43) ELANEMMP1MMP9
SCHEMBL10590411 0.72 ELANE (0.38) ELANEF10TBXAS1
SCHEMBL9548413 0.72 ELANE (0.38) ELANEF10TBXAS1
SCHEMBL9548416 0.72 ELANE (0.38) ELANEF10TBXAS1
SCHEMBL9690431 0.69 ELANE (0.38) ELANEMMP1MMP9
SCHEMBL9432185 0.69 ELANE (0.38) ELANEMMP1MMP9
SCHEMBL9690422 0.69 ELANE (0.39) ELANEMMP1MMP9
SCHEMBL23258853 0.68 ELANE (0.37) ELANEMMP1MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336143-B1 A NEW PROCESS FOR CARBAPENEM INTERMEDIATES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-09 EP disclosed
US-4960879-A REACTING SUBSTITUTED AZETIDINONE WITH TRANS SUBSTITUTED-METHYL ALKYLACRYLIC ACID AND REDUCING METAL SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
EP-0336143-A1 A new process for carbapenem intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1989-10-11 EP disclosed