SCHEMBL5028352

SCHEMBL5028352

O=C(OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.54
▸ NT5E P21589 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PTPN2 P17706 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ ANTXR2 P58335 3/20 0.47
▸ F11 P03951 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TMPRSS2 O15393 1/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ HMGCR P04035 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL3652344 0.98 NT5E (0.53) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL3700974 0.94 ANTXR2 (0.50) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL10148750 0.93 PTPN1 (0.58) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL21148453 0.93 PTPN1 (0.58) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL27988766 0.92 NT5E (0.49) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL3652342 0.92 NT5E (0.49) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL19885159 0.90 NT5E (0.49) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL20411238 0.89 NT5E (0.49) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL12920559 0.89 FGF1 (0.46) PTPN1NT5EKMT2AUSP2MEN1
SCHEMBL12154605 0.87 PTPN1 (0.68) PTPN1NT5EKMT2AUSP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 — — US disclosed
EP-1999124-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2008-12-10 — — EP disclosed
WO-2007098597-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-09-07 — — WO disclosed
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