SCHEMBL6450688

SCHEMBL6450688

C=C[C@@H]1CC[C@@H]2CC(c3ccc(CCC)cc3)CC[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.35
THRB P10828 2/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL6450691 1.00 SPHK1 (0.40) SPHK1SPHK2THRBFFAR4
SCHEMBL6459644 0.89 SPHK1 (0.33) SPHK1
SCHEMBL6459648 0.89 SPHK1 (0.33) SPHK1
SCHEMBL6454331 0.87 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL6454338 0.87 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL28979495 0.85 SPHK1 (0.49) SPHK1SPHK2THRB
SCHEMBL28979496 0.85 SPHK1 (0.49) SPHK1SPHK2THRB
SCHEMBL6459771 0.85 SPHK1 (0.39) SPHK1SPHK2FFAR4
SCHEMBL6459778 0.85 SPHK1 (0.39) SPHK1SPHK2FFAR4
SCHEMBL6459775 0.85 SPHK1 (0.39) SPHK1SPHK2FFAR4

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