SCHEMBL10821377

SCHEMBL10821377

[O]OC1O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.39
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PABPC1 P11940 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL12855648 0.82 CA2 (0.36) CA2GAAPOLBMAPK1NPSR1
SCHEMBL12855649 0.82 CA2 (0.36) CA2GAAPOLBMAPK1NPSR1
SCHEMBL10618642 0.80 CA2 (0.42) CA2GAAPABPC1CTDSP1
SCHEMBL328617 0.80 CA2 (0.35) CA2
SCHEMBL12855647 0.80 CA2 (0.35) CA2
SCHEMBL13191149 0.80 CA2 (0.39) CA2GAAPABPC1CTDSP1
SCHEMBL21549585 0.79 CA2 (0.36) CA2GAAPOLBMAPK1NPSR1
SCHEMBL2757759 0.79 CA2 (0.34) CA2
SCHEMBL2757779 0.78 CA2 (0.36) CA2GAAPABPC1CTDSP1
SCHEMBL16382539 0.78 CA2 (0.36) CA2GAAPABPC1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185079-A1 — CIBA GEIGY AG 1986-06-25 — — EP claimed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 — — WO claimed
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