SCHEMBL7777523

SCHEMBL7777523

O=C1OCOC1(c1ccccc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
APP P05067 1/20 0.38
CTSD P07339 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35
CHRM5 P08912 5/20 0.35
CHRM1 P11229 5/20 0.35

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
SCHEMBL7681801 0.70 L3MBTL1 (0.44) L3MBTL1TDP1BACE1BACE2APP
SCHEMBL13326236 0.69 CFTR (0.41) CYP2C9MAPK1SMN1; SMN2ALDH1A1CHRM2
SCHEMBL28412112 0.68 BACE1 (0.40) L3MBTL1TDP1BACE1BACE2APP
SCHEMBL2062804 0.68 L3MBTL1 (0.43) L3MBTL1TDP1BACE1BACE2APP
SCHEMBL19839538 0.68 L3MBTL1 (0.43) L3MBTL1TDP1BACE1BACE2APP
SCHEMBL13715499 0.68 L3MBTL1 (0.43) L3MBTL1TDP1BACE1BACE2APP
SCHEMBL19839514 0.68 L3MBTL1 (0.43) L3MBTL1TDP1BACE1BACE2APP
SCHEMBL16409353 0.67 CHRM2 (0.57) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL3518004 0.66 SLC6A2 (0.40) BACE1BACE2APPCTSDMAPK1
SCHEMBL18033721 0.66 SLC6A2 (0.40) BACE1BACE2APPCTSDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127043-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS Sepracor Inc. (US) 2001-08-29 EP claimed
US-6180823-B1 CONDENSING SUBSTITUTED ACETALDEHYDE WITH ENANTIOMER OF MANDELIC ACID TO PROVIDE 5-PHENYL-1,3-DIOXOLAN-4-ONE, CONDENSING WITH CYCLOHEXANONE, DEHYDRATING PRODUCT, HYDROLYZING, REDUCING TO ALPHA-CYCLOHEXYLPHENYLGLYCOLIC ACID SEPRACOR INC. 2001-01-30 US claimed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO claimed