SCHEMBL6844267

SCHEMBL6844267

OC[C@H]1O[C@H](O)[C@](O)(c2cccc3cc(Br)ccc23)[C@@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A2 P31639 9/20 0.33
PDK2 Q15119 1/20 0.32
SLC29A1 Q99808 1/20 0.32
PYGL P06737 1/20 0.32

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
SCHEMBL29050759 0.84 PYGL (0.43) SLC5A2PYGL
SCHEMBL27531539 0.84 PYGL (0.43) SLC5A2PYGL
SCHEMBL27931661 0.84 PYGL (0.43) SLC5A2PYGL
SCHEMBL219632 0.84 PYGL (0.43) SLC5A2PYGL
SCHEMBL22125692 0.84 PYGL (0.43) SLC5A2PYGL
SCHEMBL1378660 0.84 PYGL (0.43) SLC5A2PYGL
SCHEMBL4518617 0.84 SLC5A2 (0.38) SLC5A2PYGL
Water SCHEMBL8679667 0.83 PYGL (0.42) SLC5A2PYGL
SCHEMBL4527040 0.79 SLC5A2 (0.34) ALDH1A1SLC5A2PYGL
SCHEMBL7944608 0.71 CD209 (0.53) SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6764832-B2 COMPOSITION FOR USE IN THE DETECTION OF SHIGELLA IN SAMPLE R&F PRODUCTS, INC. 2004-07-20 US claimed
US-20030049718-A1 Plating media for the presumptive identification of the genus Shigella and the species Shigella sonnei and shigella boydii R&F PRODUCTS, INC. 2003-03-13 US claimed
US-6764832-B2 COMPOSITION FOR USE IN THE DETECTION OF SHIGELLA IN SAMPLE R&F PRODUCTS, INC. 2004-07-20 US disclosed
US-20030049718-A1 Plating media for the presumptive identification of the genus Shigella and the species Shigella sonnei and shigella boydii R&F PRODUCTS, INC. 2003-03-13 US disclosed