SCHEMBL9548455

SCHEMBL9548455

COc1ccc(COC(=O)C2=C(CSc3ccncc3)C(C)[C@H]3[C@@H](C(C)O)C(=O)N23)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.42
FAP Q12884 1/20 0.35
TBXAS1 P24557 1/20 0.34
F10 P00742 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL9548487 0.91 ELANE (0.44) ELANETBXAS1F10MMP1MMP9
SCHEMBL9689243 0.85 ELANE (0.43) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL9548456 0.83 ELANE (0.38) ELANETBXAS1F10MMP1MMP9
SCHEMBL9690422 0.76 ELANE (0.39) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL9690431 0.74 ELANE (0.38) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL9432185 0.74 ELANE (0.38) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL23258853 0.73 ELANE (0.37) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL9431775 0.73 ELANE (0.37) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL25601214 0.73 ELANE (0.37) ELANEMMP1MMP9CASP3KMT2A
SCHEMBL9689615 0.73 ELANE (0.37) ELANEMMP1MMP9CASP3KMT2A

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