SCHEMBL9689615

SCHEMBL9689615

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.37
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
KMT2A Q03164 2/20 0.33
CASP3 P42574 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
MEN1 O00255 1/20 0.33
APLNR P35414 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL9690422 0.91 ELANE (0.39) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL9432185 0.88 ELANE (0.38) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL9690431 0.88 ELANE (0.38) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL9689243 0.85 ELANE (0.43) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL1387281 0.81 FAP (0.31) ELANE
SCHEMBL23258853 0.80 ELANE (0.37) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL9431775 0.80 ELANE (0.37) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL25601214 0.80 ELANE (0.37) ELANEMMP1MMP9KMT2ACASP3
SCHEMBL30006016 0.80 ELANE (0.31) ELANE
SCHEMBL8839225 0.80 ELANE (0.31) ELANE

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