SCHEMBL6460465

SCHEMBL6460465

CCCCCC1CCC2CC(c3ccc(-c4ccc(CC)cc4)cc3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.33
CNR2 P34972 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
SCHEMBL6460457 1.00 SPHK1 (0.40) SPHK1SPHK2GAAMAPTCYP2C9
SCHEMBL6458890 0.99 SPHK1 (0.42) SPHK1SPHK2GAAMAPTCNR2
SCHEMBL6452404 0.99 SPHK1 (0.42) SPHK1SPHK2GAAMAPTCNR2
SCHEMBL6458887 0.99 SPHK1 (0.42) SPHK1SPHK2GAAMAPTCNR2
SCHEMBL6452400 0.99 SPHK1 (0.42) SPHK1SPHK2GAAMAPTCNR2
SCHEMBL6452796 0.96 SPHK1 (0.38) SPHK1SPHK2GAAMAPTCYP2C9
SCHEMBL6452785 0.96 SPHK1 (0.38) SPHK1SPHK2GAAMAPTCYP2C9
SCHEMBL11031734 0.96 SPHK1 (0.43) SPHK1SPHK2MAPTCYP2C9RAB9A
SCHEMBL6454810 0.91 SPHK1 (0.45) SPHK1SPHK2GAAMAPTCYP2C9
SCHEMBL6454809 0.91 SPHK1 (0.45) SPHK1SPHK2GAAMAPTCYP2C9

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