SCHEMBL11107828

SCHEMBL11107828

CC(O)C1C(=O)N2C(C(=O)O)=C([S+]([O-])c3ccccc3)CC12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC29A1 Q99808 1/20 0.42
PTGS1 P23219 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PDE4A P27815 1/20 0.33
ELANE P08246 2/20 0.33
ABCC2 Q92887 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11590192 1.00 KDM4E (0.43) KDM4ELMNAESR1CHRM1SLC6A4
Ethyl Acetate SCHEMBL11262607 0.90 KDM4E (0.39) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11109337 0.85 ELANE (0.50) ELANE
SCHEMBL11115355 0.85 ELANE (0.50) ELANE
SCHEMBL8038866 0.82 KDM4E (0.32) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11128916 0.77 ELANE (0.41) LMNAKMT2AMEN1ELANEALDH1A1
SCHEMBL11107810 0.76 KDM4E (0.54) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9878668 0.76 KDM4E (0.47) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9598370 0.75 KDM4E (0.47) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL8576696 0.74 PTGS1 (0.42) KDM4ELMNAESR1CHRM1SLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002564-B1 DERIVATIVES OF 7-OXO-1-AZABICYCLO(3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-06-20 EP claimed
EP-0002564-A1 Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1979-06-27 EP claimed
EP-0002564-B1 DERIVATIVES OF 7-OXO-1-AZABICYCLO(3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-06-20 EP disclosed
US-4347181-A Intermediates for producing bicyclic β-lactam-antibiotics BEECHAM GROUP LIMITED (GB) 1982-08-31 US disclosed
US-4289696-A BETA-LACTAMASE INHIBITORY AGENTS WHICH ENHANCE ACTIVITY OF A PENICICILLIN OR CEPHALOSPORIN BEECHAM GROUP LIMITED (GB) 1981-09-15 US disclosed
US-4223038-A THIENAMYCINS BEECHAM GROUP LIMITED (GB) 1980-09-16 US disclosed
EP-0002564-A1 Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1979-06-27 EP disclosed