SCHEMBL16631959

SCHEMBL16631959

CCCCOC[C@H]1O[C@@H](c2cnc(OCCCC)nc2C)C[C@H]1OCCCC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL16631964 0.83 SMN1; SMN2 (0.33) GJB2SMN1; SMN2
SCHEMBL16631693 0.83 GJB2 (0.31) GJB2SMN1; SMN2
SCHEMBL18081853 0.79 GJB2 (0.32) GJB2
SCHEMBL16631780 0.76 ALDH1A1 (0.32) GJB2SMN1; SMN2
SCHEMBL16631585 0.76 GJB2 (0.30) GJB2
SCHEMBL16631781 0.74 SMN1; SMN2 (0.33) GJB2SMN1; SMN2
SCHEMBL16631952 0.72 — —
SCHEMBL19292103 0.72 GJB2 (0.30) GJB2
SCHEMBL19292355 0.71 GJB2 (0.32) GJB2
SCHEMBL7794269 0.70 ALDH1A1 (0.44) GJB2SMN1; SMN2

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 — — WO disclosed
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