SCHEMBL8935617

SCHEMBL8935617

OC[C@@H]1O[C@@H]1CO.OC[C@@H]1O[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LGALS1 P09382 2/20 0.39
LGALS3 P17931 2/20 0.39
LGALS9 O00182 1/20 0.39
LGALS8 O00214 1/20 0.39
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
GBA1 P04062 1/20 0.32
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 3/20 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
SCHEMBL8842475 1.00
SCHEMBL10419663 1.00
SCHEMBL4304276 1.00
SCHEMBL598448 1.00
SCHEMBL52144 0.83
SCHEMBL15983811 0.83
SCHEMBL13888993 0.83
SCHEMBL16381729 0.83
SCHEMBL11117969 0.83
SCHEMBL6437845 0.83

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-0642526-A4 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE. SCRIPPS RESEARCH INST (US) 1996-04-10 EP disclosed
EP-0642526-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1995-03-15 EP disclosed