SCHEMBL6451664

SCHEMBL6451664

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(CCC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.47
SPHK2 Q9NRA0 7/20 0.42
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RARB P10826 2/20 0.35

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
SCHEMBL6453742 1.00 SPHK1 (0.47) SPHK1SPHK2GAAMAPTTSHR
SCHEMBL6451667 1.00 SPHK1 (0.47) SPHK1SPHK2GAAMAPTTSHR
SCHEMBL6453746 1.00 SPHK1 (0.47) SPHK1SPHK2GAAMAPTTSHR
SCHEMBL6454810 0.99 SPHK1 (0.45) SPHK1SPHK2GAAMAPTRARB
SCHEMBL6454809 0.99 SPHK1 (0.45) SPHK1SPHK2GAAMAPTRARB
SCHEMBL11027967 0.96 SPHK1 (0.50) SPHK1SPHK2GAAMAPT
SCHEMBL6459098 0.95 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL6459088 0.95 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL11027792 0.95 SPHK1 (0.48) SPHK1SPHK2MAPT
SCHEMBL6452400 0.91 SPHK1 (0.42) SPHK1SPHK2GAAMAPT

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