SCHEMBL9697618

SCHEMBL9697618

CC(=O)C1=C[C@@H](O)[C@H](O)[C@@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ FUCA1 P04066 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NEU4 Q8WWR8 2/20 0.30
▸ NEU3 Q9UQ49 2/20 0.30
▸ NEU2 Q9Y3R4 2/20 0.30
▸ NEU1 Q99519 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
SCHEMBL10660033 1.00 NFKB1 (0.38) NFKB1STAT3STAT1NFKB2RELA
SCHEMBL17722419 0.84 NEU2 (0.38) FUCA1NEU4NEU3NEU2NEU1
SCHEMBL12068163 0.84 NEU2 (0.38) FUCA1NEU4NEU3NEU2NEU1
SCHEMBL25060228 0.84 NEU2 (0.38) FUCA1NEU4NEU3NEU2NEU1
SCHEMBL13449503 0.84 NEU2 (0.38) FUCA1NEU4NEU3NEU2NEU1
SCHEMBL1232124 0.76 LMNA (0.39) NFKB1STAT3STAT1NFKB2RELA
SCHEMBL1935207 0.76 LMNA (0.39) NFKB1STAT3STAT1NFKB2RELA
SCHEMBL22919828 0.71 NEU2 (0.40) NEU4NEU3NEU2NEU1
SCHEMBL8718259 0.70 FUCA1 (0.39) FUCA1
SCHEMBL9961616 0.70 FUCA1 (0.39) FUCA1

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-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 — — WO disclosed
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