SCHEMBL6450953

SCHEMBL6450953

CCCCCCCC1CCC2CC(c3ccc(-c4ccc(OC(F)(F)C(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.34
CNR2 P34972 11/20 0.33
SPHK1 Q9NYA1 2/20 0.31
CYP2C9 P11712 1/20 0.31
EPHX2 P34913 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
SCHEMBL6450944 1.00 GAA (0.36) GAAMAPTRAB9ACNR2SPHK1
SCHEMBL6457970 1.00 GAA (0.36) GAAMAPTRAB9ACNR2SPHK1
SCHEMBL6457968 1.00 GAA (0.36) GAAMAPTRAB9ACNR2SPHK1
SCHEMBL6453867 0.99 RAB9A (0.34) GAAMAPTRAB9ACNR2CYP2C9
SCHEMBL6453872 0.99 RAB9A (0.34) GAAMAPTRAB9ACNR2CYP2C9
SCHEMBL6453261 0.96 RAB9A (0.35) GAAMAPTRAB9ACNR2CYP2C9
SCHEMBL6453257 0.96 RAB9A (0.35) GAAMAPTRAB9ACNR2CYP2C9
SCHEMBL6452998 0.92 CYP2C9 (0.38) MAPTRAB9ACYP2C9EPHX2
SCHEMBL6453009 0.92 CYP2C9 (0.38) MAPTRAB9ACYP2C9EPHX2
SCHEMBL6459041 0.91 L3MBTL1 (0.36) GAAMAPTRAB9ACNR2SPHK1

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