SCHEMBL7679658

SCHEMBL7679658

COc1ccc(CC(CC2CCN(C(=O)c3ccccc3)CC2)C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
BACE1 P56817 2/20 0.60
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LDHA P00338 1/20 0.48
YAP1 P46937 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK14 Q16539 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6754373 0.84 SIGMAR1 (0.60) ACHEBACE1KMT2AMEN1ALDH1A1
SCHEMBL7682403 0.79 LDHA (0.56) LDHAALDH1A1KDM4E
SCHEMBL7684481 0.75 SIGMAR1 (0.56) ACHEBACE1KMT2AMEN1KDM4E
SCHEMBL8245315 0.72 ACHE (0.67) ACHEKMT2AMEN1ALDH1A1
SCHEMBL25237317 0.72 MEN1 (0.67) ACHEBACE1KMT2AMEN1ALDH1A1
SCHEMBL31178381 0.72 MEN1 (0.67) ACHEBACE1KMT2AMEN1ALDH1A1
SCHEMBL9030920 0.71 ACHE (0.60) ACHEKMT2AMEN1ALDH1A1
SCHEMBL5353463 0.70 MEN1 (0.63) KMT2AMEN1ALDH1A1KDM4ECYP2C9
SCHEMBL9030029 0.70 ACHE (0.59) ACHEKMT2AMEN1ALDH1A1
SCHEMBL7682400 0.70 LDHA (0.58) KMT2AMEN1LDHAALDH1A1KDM4E

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
US-6492522-B1 OPTICAL ISOMERS AND SALTS WITH 4-PYRIDINECARBOXALDEHYDE IN THE PRESENCE OF BASE TO GIVE A COMPOUND OF THE FORMULA REACTING THE COMPOUND OBTAINED IN STEP B) ABOVE OR A SALT THEREOF WITH A COMPOUND OF FORMULA R.SUP.10 X, WHEREIN R.SUP.10, FINETECH LABORATORIES LTD. (IL) 2002-12-10 US disclosed
EP-1129073-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS Finetech Ltd (IL) 2001-09-05 EP disclosed
WO-2000009483-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS FINETECH LTD. (IL) 2000-02-24 WO disclosed