SCHEMBL6454224

SCHEMBL6454224

C/C=C/CCc1ccc(-c2ccc(C3CCC4CC(CCCC)CCC4C3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.38
▸ SPHK2 Q9NRA0 7/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.31
▸ CYP2C9 P11712 1/20 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
SCHEMBL6454229 1.00 SPHK1 (0.38) SPHK1SPHK2FFAR4CYP2C9
SCHEMBL6454220 1.00 SPHK1 (0.38) SPHK1SPHK2FFAR4CYP2C9
SCHEMBL6456625 0.97 SPHK1 (0.39) SPHK1SPHK2FFAR4
SCHEMBL6456618 0.97 SPHK1 (0.39) SPHK1SPHK2FFAR4
SCHEMBL6456615 0.97 SPHK1 (0.39) SPHK1SPHK2FFAR4
SCHEMBL6452017 0.96 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6452012 0.96 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6452005 0.96 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6458782 0.96 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6458779 0.96 SPHK1 (0.41) 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
Send feedback