SCHEMBL13726741

SCHEMBL13726741

C=C(C)C(=O)[C@@H]1COC(C)(C)N1C(=O)O

nearest known ligand 0.33

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
SCHEMBL19733005 0.86 SPHK1 (0.33) SPHK1
SCHEMBL25401336 0.83 SPHK1 (0.32) SPHK1
SCHEMBL25401332 0.83 SPHK1 (0.32) SPHK1
SCHEMBL23850149 0.82 SPHK1 (0.35) SPHK1
SCHEMBL4912532 0.82 SPHK1 (0.35) SPHK1
SCHEMBL3633420 0.82 SPHK1 (0.35) SPHK1
SCHEMBL15318921 0.82 SPHK1 (0.35) SPHK1
SCHEMBL23850147 0.82 SPHK1 (0.35) SPHK1
SCHEMBL25403981 0.79 SPHK1 (0.30) SPHK1
SCHEMBL8646545 0.76 SPHK1 (0.37) SPHK1

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-2012150292-A1 STEREOSELECTIVE SYNTHESIS OF CIS-4-METHYLSPHINGOSINE AND DERIVATIVES THEREOF HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2012-11-08 — — WO disclosed
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