SCHEMBL11065047

SCHEMBL11065047

O=CC(=O)OCC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 2/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 5/20 0.50
GSK3B P49841 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL22364559 0.78 RAB9A (0.54) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL11801259 0.78 RAB9A (0.62) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL11757716 0.78 ALDH1A1 (0.62) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL10465723 0.78 GSK3B (0.53) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL11687118 0.77 HPGD (0.49) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL866784 0.77 GSK3B (0.61) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL20055247 0.75 HPGD (0.58) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL15396003 0.74 RAB9A (0.57) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL15706788 0.74 RAB9A (0.76) RAB9AHPGDNPC1LMNAKDM4E
SCHEMBL16398364 0.74 RAB9A (1.00) RAB9AHPGDNPC1LMNAKDM4E

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