SCHEMBL11065255

SCHEMBL11065255

O=C(O)C(=O)CC(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL555590 0.73
Water SCHEMBL4737329 0.71
SCHEMBL28366269 0.71
Hydrochloric Acid SCHEMBL8555531 0.71
SCHEMBL2719828 0.71 TET2 (0.50) TSHRALDH1A1TP53
SCHEMBL10712673 0.69 ALDH1A1 (0.35) TSHRALDH1A1TP53
Benzene SCHEMBL1935095 0.69 ALDH1A1 (0.41) TSHRALDH1A1TP53EGLN1
Methyl Alcohol SCHEMBL1615268 0.69 HMGCR (0.48) TSHRALDH1A1TP53
SCHEMBL3697055 0.69 HMGCR (0.41) OR51E2TSHRALDH1A1MAPK1SLC13A3
SCHEMBL3230536 0.69 OR51E2 (0.40) OR51E2MAPK1SLC13A3EGLN1

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 17 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-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 US disclosed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 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
US-4200572-A Substituted azetidinones SMITHKLINE CORPORATION (US) 1980-04-29 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
US-4000154-A 3-Substituted-6β-(amino- and acylamino)-7-oxo-1,3-diazabicyclo[3.2.0]-h SMITHKLINE CORPORATION (US) 1976-12-28 US disclosed