SCHEMBL6459966

SCHEMBL6459966

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 3/20 0.35
CYP2C9 P11712 1/20 0.35
CNR2 P34972 6/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6459972 1.00 MAPT (0.36) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6454027 0.99 SPHK1 (0.37) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6454257 0.99 SPHK1 (0.37) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6454024 0.99 SPHK1 (0.37) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6454252 0.99 SPHK1 (0.37) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6464366 0.96 CYP2C9 (0.35) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6464367 0.96 CYP2C9 (0.35) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL11028165 0.96 SPHK1 (0.38) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL11028402 0.95 SPHK1 (0.40) MAPTGAASPHK1CYP2C9CNR2
SCHEMBL6458095 0.91 CYP2C9 (0.43) MAPTCYP2C9ALDH1A1LMNAMEN1

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