SCHEMBL9690416

SCHEMBL9690416

CC[Si](CC)(CC)OC(C)[C@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(COS(=O)(=O)c3ccc(C)cc3)[C@H](C)[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 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
SCHEMBL9689227 0.93 NAAA (0.35) PKMHTTSMN1; SMN2ELANEMEN1
SCHEMBL9432185 0.87 ELANE (0.38) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL9690431 0.87 ELANE (0.38) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL23258853 0.84 ELANE (0.37) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL9431775 0.84 ELANE (0.37) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL25601214 0.84 ELANE (0.37) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL9432113 0.80 ELANE (0.41) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL9431957 0.79 ELANE (0.37) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL9690422 0.79 ELANE (0.39) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL9432123 0.76 ELANE (0.35) ELANEMEN1KMT2A

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