SCHEMBL7562574

SCHEMBL7562574

CCCCC[C@]1([C@@H](C)O)CO1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 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
SCHEMBL4441743 1.00 SPHK1 (0.32) SPHK1
SCHEMBL7540577 1.00 SPHK1 (0.32) SPHK1
SCHEMBL7534497 1.00 SPHK1 (0.32) SPHK1
SCHEMBL11678773 0.98 SPHK1 (0.35) SPHK1
SCHEMBL8757227 0.80
SCHEMBL3419582 0.78
SCHEMBL28212918 0.75
Bromide SCHEMBL9719386 0.73
SCHEMBL9242887 0.69 GPR84 (0.35) SPHK1
SCHEMBL3417890 0.68

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-1071640-B1 ASYMMETRIC SYNTHESIS OF 2-ARYL-1-SUBSTITUTED BUTAN-2,3-DIOLS NAEJA PHARMACEUTICAL INC (CA) 2002-03-13 EP disclosed