SCHEMBL7682403

SCHEMBL7682403

COc1ccc(CC(CC2CCNCC2)C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
CPN1 P15169 1/20 0.47
CPB2 Q96IY4 1/20 0.47
MMP1 P03956 5/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ROCK2 O75116 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL7684678 0.87 ALDH1A1 (0.47) LDHACA1CA2CA9CA12
Hydrochloric Acid SCHEMBL7688079 0.86 MEN1 (0.46) LDHACA1CA2CA9CA12
SCHEMBL6754373 0.80 SIGMAR1 (0.60) KDM4EALDH1A1L3MBTL1
SCHEMBL7679658 0.79 ACHE (0.60) LDHAKDM4EALDH1A1
SCHEMBL22345343 0.75 LDHA (0.69) LDHAMMP1PPARDPPARAPPARG
SCHEMBL10407811 0.75 SLC6A4 (0.59) CA1CA2CA9CA12
Hydrochloric Acid SCHEMBL9789607 0.74 ALDH1A1 (0.49) CA1CA2CA9CA12KDM4E
SCHEMBL10734796 0.73 LDHA (0.66) LDHAMMP1PPARDPPARACA2
SCHEMBL490731 0.73 LDHA (1.00) LDHAMMP1CA1CA2CA9
SCHEMBL11911907 0.72 LDHA (0.78) LDHAMMP1CA1CA2CA9

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