SCHEMBL6454331

SCHEMBL6454331

C=CCCc1ccc(C2CC[C@@H]3C[C@H](C=C)CC[C@@H]3C2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.32
ALOX5 P09917 1/20 0.31
FFAR4 Q5NUL3 3/20 0.30

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
SCHEMBL6454338 1.00 SPHK1 (0.32) SPHK1ALOX5FFAR4
SCHEMBL6454069 0.88 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL6454066 0.88 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL6454064 0.88 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL6450688 0.87 SPHK1 (0.40) SPHK1FFAR4
SCHEMBL6450691 0.87 SPHK1 (0.40) SPHK1FFAR4
SCHEMBL6459644 0.84 SPHK1 (0.33) SPHK1
SCHEMBL6459648 0.84 SPHK1 (0.33) SPHK1
SCHEMBL6454936 0.83 ALOX5 (0.32) SPHK1ALOX5
SCHEMBL6454932 0.83 ALOX5 (0.32) SPHK1ALOX5

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