SCHEMBL16579690

SCHEMBL16579690

[2H]CC1(C)OC[C@H]([C@H]2OC(c3ccccc3)O[C@@H](CO)[C@H]2O)O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC5A2 P31639 7/20 0.34
▸ HCRTR2 O43614 4/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ TBXA2R P21731 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
SCHEMBL4633222 0.93 MEN1 (0.41) MEN1KMT2AL3MBTL1SLC5A2HCRTR2
SCHEMBL12650357 0.82 ACHE (0.41) MEN1KMT2A
SCHEMBL12530947 0.80 KMT2A (0.52) MEN1KMT2AL3MBTL1SLC5A2
SCHEMBL12798046 0.79 MEN1 (0.40) MEN1KMT2AL3MBTL1
SCHEMBL12650358 0.79 MEN1 (0.40) MEN1KMT2AL3MBTL1
SCHEMBL14747332 0.78 MEN1 (0.35) MEN1KMT2AL3MBTL1HCRTR2HCRTR1
SCHEMBL7148924 0.77 MEN1 (0.43) MEN1KMT2AL3MBTL1HCRTR2HCRTR1
SCHEMBL12798041 0.76 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL12798049 0.76 SLC6A2 (0.37) MEN1KMT2AL3MBTL1
SCHEMBL12650543 0.76 SLC6A2 (0.37) MEN1KMT2AL3MBTL1

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
US-8987216-B2 Polysulfated glycosides and salts thereof Teva Hungary Pharmaceutical Marketing Private Limited Company (HU) 2015-03-24 — — US disclosed
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