SCHEMBL6453349

SCHEMBL6453349

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.38
SPHK2 Q9NRA0 7/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6453343 1.00 SPHK1 (0.38) SPHK1SPHK2RAB9AMEN1KMT2A
SCHEMBL6457734 0.99 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL6452900 0.99 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL6452896 0.99 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL6457732 0.99 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL6455249 0.96 SPHK1 (0.36) SPHK1SPHK2RAB9AMEN1KMT2A
SCHEMBL6455254 0.96 SPHK1 (0.36) SPHK1SPHK2RAB9AMEN1KMT2A
SCHEMBL11031734 0.93 SPHK1 (0.43) SPHK1SPHK2RAB9AMEN1KMT2A
SCHEMBL6451437 0.92 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL6451440 0.92 SPHK1 (0.42) 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