SCHEMBL6463391

SCHEMBL6463391

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4cc(F)cc(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CNR2 P34972 6/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL6463397 1.00 MAPT (0.33) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6455894 0.99 GAA (0.35) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6455898 0.99 GAA (0.35) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6460094 0.99 GAA (0.35) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6460089 0.99 GAA (0.35) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6454569 0.96 RAB9A (0.34) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6454572 0.96 RAB9A (0.34) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6464848 0.91 PTGS1 (0.35) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6464851 0.91 PTGS1 (0.35) MAPTRAB9AGAASPHK1CYP2C9
SCHEMBL6456007 0.91 CYP2C9 (0.39) MAPTRAB9ACYP2C9SLC6A2SLC6A4

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