SCHEMBL7992659

SCHEMBL7992659

[CH2]CCC(CCCCOCC(C)C)OC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL4460725 0.75 CYP3A4 (0.33) SPHK1
SCHEMBL5114081 0.73
SCHEMBL5100924 0.71 SPHK1 (0.37) SPHK2SPHK1
SCHEMBL6654969 0.69 SPHK1 (0.39) SPHK2SPHK1
SCHEMBL6650342 0.69 SPHK1 (0.39) SPHK2SPHK1
SCHEMBL2152710 0.69 SPHK1 (0.39) SPHK2SPHK1
SCHEMBL6178532 0.69 SPHK1 (0.42) SPHK2SPHK1
SCHEMBL2152604 0.69 SPHK1 (0.39) SPHK2SPHK1
SCHEMBL6176228 0.69 SPHK1 (0.42) SPHK2SPHK1
SCHEMBL9149315 0.69 SPHK1 (0.39) SPHK2SPHK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001000607-A1 CYCLOHEXENONE DERIVATIVES OF BICYCLIC BENZOIC ACIDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed