SCHEMBL8645545

SCHEMBL8645545

O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.42
TACR1 P25103 3/20 0.42
SLC1A1 P43005 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL29090089 1.00 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL4483094 0.89 CA1 (0.53) CA1CA2CA7CA9KMT2A
Demannose SCHEMBL3007006 0.86 TSHR (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL27957107 0.85 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL27957102 0.84 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL28201816 0.83 CASR (0.45) TACR1SLC1A1
SCHEMBL11684378 0.82 LMNA (0.49) KMT2ATSHR
SCHEMBL11790408 0.82 CA1 (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL1578761 0.81 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL5980669 0.81 CA1 (0.45) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585087-A1 A PREPARATION FOR BALANCING THE COMPOSITION OF THE ORAL MICROBIAL FLORA Pärnänen, Pirjo (FI) 2013-05-01 EP disclosed
WO-2011157898-A1 A PREPARATION FOR BALANCING THE COMPOSITION OF THE ORAL MICROBIAL FLORA PAERNAENEN PIRJO (FI) 2011-12-22 WO disclosed
EP-0530850-B1 Process for producing a modified oligosaccharide WAKO PURE CHEM IND LTD (JP) 1998-09-09 EP disclosed
US-5319078-A α-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES, INC. (JP) 1994-06-07 US disclosed
EP-0252525-B1 Alpha-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEM IND LTD (JP) 1993-11-10 EP disclosed
EP-0530850-A2 Process for producing a modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP disclosed
US-5192666-A α-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-09 US disclosed
US-4617269-A WITH TRANSFERASE ENZYMES DERIVED FROM BACILLUS TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1986-10-14 US disclosed