SCHEMBL7681801

SCHEMBL7681801

CC(C)(C)[C@@H]1OC(=O)[C@@](c2ccccc2)(C2CCCCC2)O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 1/20 0.42
APP P05067 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
CHRM2 P08172 14/20 0.37
CHRM4 P08173 14/20 0.37
CHRM5 P08912 14/20 0.37
CHRM1 P11229 14/20 0.37
CHRM3 P20309 14/20 0.37

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
SCHEMBL19839514 0.99 L3MBTL1 (0.43) L3MBTL1TDP1APPCTSDBACE1
SCHEMBL19839538 0.99 L3MBTL1 (0.43) L3MBTL1TDP1APPCTSDBACE1
SCHEMBL2062804 0.99 L3MBTL1 (0.43) L3MBTL1TDP1APPCTSDBACE1
SCHEMBL13715499 0.99 L3MBTL1 (0.43) L3MBTL1TDP1APPCTSDBACE1
SCHEMBL7478239 0.88 MEN1 (0.34) L3MBTL1TDP1CHRM2CHRM4CHRM1
SCHEMBL2797900 0.86 L3MBTL1 (0.36) L3MBTL1TDP1CHRM2CHRM4
SCHEMBL2793010 0.86 L3MBTL1 (0.36) L3MBTL1TDP1CHRM2CHRM4
SCHEMBL2792896 0.86 L3MBTL1 (0.36) L3MBTL1TDP1CHRM2CHRM4
SCHEMBL7471671 0.85 MAPK1 (0.33) L3MBTL1TDP1CHRM2CHRM4
SCHEMBL8308654 0.85 MAPK1 (0.33) L3MBTL1TDP1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376684-B1 CHEMICAL INTERMEDIATE FOR OXYBUTYNIN-TYPE COMPOUNDS SEPRACOR INC. 2002-04-23 US disclosed
EP-1127043-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS Sepracor Inc. (US) 2001-08-29 EP disclosed
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 disclosed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO disclosed