SCHEMBL6451440

SCHEMBL6451440

CCCCCC1CCC2CC(c3ccc(C#Cc4ccc(CCC)cc4)cc3)CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.38
ACACB O00763 2/20 0.36
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 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
SCHEMBL6451437 1.00 SPHK1 (0.42) SPHK1SPHK2ACACBMMP2MMP9
SCHEMBL6457403 0.99 SPHK1 (0.44) SPHK1SPHK2ACACB
SCHEMBL6457409 0.99 SPHK1 (0.44) SPHK1SPHK2ACACB
SCHEMBL6451985 0.99 SPHK1 (0.44) SPHK1SPHK2ACACB
SCHEMBL6451987 0.99 SPHK1 (0.44) SPHK1SPHK2ACACB
SCHEMBL6455096 0.96 SPHK1 (0.40) SPHK1SPHK2ACACB
SCHEMBL6455100 0.96 SPHK1 (0.40) SPHK1SPHK2ACACB
SCHEMBL11027792 0.93 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL6453349 0.92 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6453343 0.92 SPHK1 (0.38) SPHK1SPHK2

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