SCHEMBL7680253

SCHEMBL7680253

COc1ccc(C=CC(=O)OCCCN2CCCCC2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.74
BCHE P06276 15/20 0.74
TTR P02766 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL6550502 0.81 KDM4E (0.66) ACHEBCHETTRKDM4EALDH1A1
SCHEMBL7769407 0.80 HRH3 (0.57) ACHEBCHE
SCHEMBL7676833 0.80 HSP90AA1 (0.61) ACHEBCHEKDM4EALDH1A1KMT2A
SCHEMBL2224754 0.79 APP (0.67) ACHEBCHETTRKDM4EALDH1A1
SCHEMBL19358969 0.79 APP (0.69) ACHEBCHETTR
SCHEMBL2224756 0.79 APP (0.67) ACHEBCHETTRKDM4EALDH1A1
SCHEMBL19358971 0.79 APP (0.69) ACHEBCHETTR
SCHEMBL2453913 0.78 ACHE (0.56) ACHEBCHEKDM4E
SCHEMBL2453910 0.78 ACHE (0.56) ACHEBCHEKDM4E
SCHEMBL25196911 0.78 ACHE (0.68) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US claimed