SCHEMBL6459158

SCHEMBL6459158

Brc1ccc(C2CC[C@@H]3CC4(CC[C@H]3C2)OCCO4)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.31
MAOB P27338 3/20 0.31
MAOA P21397 1/20 0.31
LIG1 P18858 1/20 0.31
KCNH2 Q12809 2/20 0.30
RCOR1 Q9UKL0 2/20 0.30
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL6460388 0.78
SCHEMBL7292956 0.77 ESR2 (0.37) KDM1AMAOBMAOALIG1KCNH2
SCHEMBL25833259 0.73 KDM1A (0.36) KDM1AMAOBMAOALIG1KCNH2
SCHEMBL21427265 0.69
SCHEMBL6457093 0.69 KDM1A (0.34) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL6457090 0.69 KDM1A (0.34) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL9136952 0.69 POLB (0.43)
SCHEMBL9628453 0.69 POLB (0.43)
SCHEMBL19339361 0.69 ESR2 (0.49)
SCHEMBL18251916 0.69 L3MBTL1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed