SCHEMBL11063535

SCHEMBL11063535

O=C(OCc1ccccc1)C1=CCC2C(Cc3ccccc3)C(=O)N12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.43
ELANE P08246 4/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
KLK3 P07288 2/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11062039 0.87 ELANE (0.41) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11061674 0.85 ELANE (0.43) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL9782771 0.84 LMNA (0.44) FOLH1KMT2AALDH1A1
SCHEMBL11063454 0.84 ELANE (0.45) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11063234 0.82 ELANE (0.40) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11067616 0.82 ELANE (0.38) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL9782863 0.81 ELANE (0.55) ELANESLC6A2SLC6A3KMT2ATDP1
SCHEMBL11066441 0.81 ELANE (0.39) ELANE
SCHEMBL11107858 0.81 ELANE (0.39) ELANE
SCHEMBL9782425 0.80 ELANE (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431587-A AMINO ACID DERIVATIVE ANTIVBIOTICS BEECHAM GROUP LIMITED (GB) 1984-02-14 US disclosed
EP-0008888-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-09-21 EP 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