SCHEMBL11286280

SCHEMBL11286280

CCCCCCCCCCCCCCCCCCC(C)C(C)(O)S

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
CA1 P00915 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
LMNA P02545 1/20 0.41
FDPS P14324 4/20 0.41
OPRM1 P35372 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36

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
SCHEMBL28945249 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL1684935 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL5922595 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL4992968 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL4975162 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL6336439 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL947646 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL1848255 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL61071 0.82 SPHK1 (0.45) CA2CA1SPHK1LMNAFDPS
SCHEMBL28477273 0.82 OPRM1 (0.42) CA2SPHK1LMNAFDPSOPRM1

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
EP-0050327-A1 Phospholipids that contain sulphur, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1982-04-28 EP disclosed