SCHEMBL9689243

SCHEMBL9689243

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.43
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9690422 0.88 ELANE (0.39) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9432185 0.86 ELANE (0.38) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9690431 0.86 ELANE (0.38) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9548455 0.85 ELANE (0.42) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9689615 0.85 ELANE (0.37) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9432078 0.79 ELANE (0.38) ELANE
SCHEMBL23258853 0.78 ELANE (0.37) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9431775 0.78 ELANE (0.37) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL25601214 0.78 ELANE (0.37) ELANEMMP9MMP1CASP3KMT2A
SCHEMBL9548487 0.77 ELANE (0.44) ELANEMMP9MMP1

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-0481116-A1 A process for producing halomethylcarbapenems SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-04-22 EP disclosed
US-5064954-A Phosphorylation of hydroxymethylcarbapem and halogenation; bactericides SHIONOGI & CO., LTD. (JP) 1991-11-12 US disclosed