SCHEMBL6451987

SCHEMBL6451987

CCCCCCCC1CCC2CC(c3ccc(C#Cc4ccc(CCC)cc4)cc3)CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.44
SPHK2 Q9NRA0 7/20 0.40
ACACB O00763 2/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6451985 1.00 SPHK1 (0.44) SPHK1SPHK2ACACBFFAR1FFAR4
SCHEMBL6457403 1.00 SPHK1 (0.44) SPHK1SPHK2ACACBFFAR1FFAR4
SCHEMBL6457409 1.00 SPHK1 (0.44) SPHK1SPHK2ACACBFFAR1FFAR4
SCHEMBL6451440 0.99 SPHK1 (0.42) SPHK1SPHK2ACACB
SCHEMBL6451437 0.99 SPHK1 (0.42) SPHK1SPHK2ACACB
SCHEMBL6455096 0.95 SPHK1 (0.40) SPHK1SPHK2ACACB
SCHEMBL6455100 0.95 SPHK1 (0.40) SPHK1SPHK2ACACB
SCHEMBL11027967 0.93 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL6452896 0.92 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6452900 0.92 SPHK1 (0.40) 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