Ethyl Bromo Acetate

Ethyl Bromo Acetate

SCHEMBL7509727

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)OCC)c(OC)cc2N(c2ccccc2)C1=O.CCOC(=O)CBr

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
PRNP P04156 1/20 0.39
ALOX12 P18054 1/20 0.39
ELANE P08246 1/20 0.38
NPSR1 Q6W5P4 4/20 0.38
GPR55 Q9Y2T6 2/20 0.38
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTPN1 P18031 1/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
PPOX P50336 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL6993131 0.96 ELANE (0.41) ALDH1A1GAAMAPTPRNPALOX12
SCHEMBL7512573 0.88 ELANE (0.44) ALDH1A1GAAMAPTELANENPSR1
SCHEMBL7507444 0.85 ELANE (0.45) ALDH1A1GAAMAPTPRNPALOX12
SCHEMBL6992847 0.82 ELANE (0.43) ALDH1A1GAAELANENPSR1GPR55
SCHEMBL6993400 0.81 ELANE (0.42) ALDH1A1GAAMAPTELANECYP2C19
SCHEMBL6986488 0.77 GAA (0.36) ALDH1A1GAAMAPTELANENPSR1
SCHEMBL6993226 0.77 ELANE (0.41) ALDH1A1MAPTELANECYP2C19PKM
SCHEMBL6987940 0.77 ELANE (0.48) ALDH1A1GAAMAPTPRNPELANE
SCHEMBL7513280 0.77 ELANE (0.44) ALDH1A1GAAMAPTELANECYP2C19
SCHEMBL6992850 0.75 ELANE (0.40) ALDH1A1MAPTELANENPSR1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed