SCHEMBL9428111

SCHEMBL9428111

C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3ccccc3)[C@H](C)[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.36
ESR1 P03372 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
CACNA1C Q13936 1/20 0.34
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TTR P02766 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL10863704 0.89 ELANE (0.33) ELANE
SCHEMBL8046011 0.89 MAPT (0.35) GAATHRBSMN1; SMN2MEN1KMT2A
SCHEMBL8975911 0.89 MAPT (0.35) GAATHRBSMN1; SMN2MEN1KMT2A
SCHEMBL8046007 0.86 CACNA1C (0.36) ELANEESR1PTGS1PDE4ACACNA1C
SCHEMBL9834843 0.86 ESR1 (0.37) ELANEESR1PTGS1PDE4ACACNA1C
SCHEMBL8038860 0.86 ESR1 (0.37) ELANEESR1PTGS1PDE4ACACNA1C
SCHEMBL9852139 0.83 ELANE (0.32) ELANE
SCHEMBL9428941 0.83 CACNA1C (0.36) ESR1PTGS1PDE4ACACNA1C
SCHEMBL9427855 0.83 CACNA1C (0.36) ESR1PTGS1PDE4ACACNA1C
SCHEMBL21081301 0.82 ESR1 (0.48) ELANEESR1PTGS1PDE4ACACNA1C

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
US-5306816-A Processes for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0499196-A1 Intermediates and process for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed