SCHEMBL6459947

SCHEMBL6459947

CCCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(CCC)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
RARB P10826 3/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
SPHK2 Q9NRA0 7/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL6459285 1.00 SPHK1 (0.36) SPHK1RARBRARARARGSPHK2
SCHEMBL6459279 1.00 SPHK1 (0.36) SPHK1RARBRARARARGSPHK2
SCHEMBL6459951 1.00 SPHK1 (0.36) SPHK1RARBRARARARGSPHK2
SCHEMBL6463684 0.99 SPHK1 (0.34) SPHK1RARBRARARARGSPHK2
SCHEMBL6463681 0.99 SPHK1 (0.34) SPHK1RARBRARARARGSPHK2
SCHEMBL6456368 0.96 SPHK1 (0.33) SPHK1RARBRARARARG
SCHEMBL6456371 0.96 SPHK1 (0.33) SPHK1RARBRARARARG
SCHEMBL6457415 0.93 GAA (0.33) SPHK1RARBRARARARGGAA
SCHEMBL6452380 0.93 GAA (0.33) SPHK1RARBRARARARGGAA
SCHEMBL6457404 0.93 GAA (0.33) SPHK1RARBRARARARGGAA

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