SCHEMBL11061653

SCHEMBL11061653

CC(C)(O)C1C(=O)N2C(C(=O)OCc3ccccc3)=CCC12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.42
CES2 O00748 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11063454 0.83 ELANE (0.45) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL9782863 0.81 ELANE (0.55) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11063535 0.80 FOLH1 (0.43) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11061309 0.80 ELANE (0.52) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL9782425 0.80 ELANE (0.52) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11061674 0.78 ELANE (0.43) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL9680869 0.77 CES2 (0.36) CES2
SCHEMBL11062039 0.77 ELANE (0.41) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11486285 0.77 ELANE (0.47) ELANEALDH1A1
SCHEMBL11062621 0.76 ELANE (0.43) ELANESLC6A2SLC6A3KMT2ATDP1

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 9 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 disclosed
US-4431587-A AMINO ACID DERIVATIVE ANTIVBIOTICS BEECHAM GROUP LIMITED (GB) 1984-02-14 US disclosed
US-4405637-A CARBAPENICILLIN BEECHAM GROUP LIMITED (GB) 1983-09-20 US disclosed
US-4401595-A 4-Allyl azetidinone intermediate for β-lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1983-08-30 US disclosed
US-4350703-A β-Lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-09-21 US 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