SCHEMBL9010593

SCHEMBL9010593

O=C(N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CNC(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H]1O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 1/20 0.39
▸ CTSB P07858 2/20 0.37
▸ LGALS8 O00214 1/20 0.35
▸ SYNJ2 O15056 2/20 0.35
▸ CTSL P07711 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GALK1 P51570 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL7768519 0.97 MAG (0.39) MAGCTSBLGALS8SYNJ2CTSL
SCHEMBL9010587 0.83 ITGB3 (0.37) MAGCTSBLGALS8SYNJ2GAA
SCHEMBL7768969 0.81 LGALS8 (0.51) LGALS8SYNJ2GAAKDM4EABL1
SCHEMBL7767611 0.78 SSTR5 (0.43) CTSBLGALS8CTSLCTSKGAA
SCHEMBL8651024 0.77 HK1 (0.42) —
SCHEMBL8653679 0.75 PTPN1 (0.39) KDM4EMAPTALDH1A1
SCHEMBL2003046 0.74 LMNA (0.50) LGALS8MAPT
SCHEMBL2307262 0.74 LGALS8 (0.44) LGALS8SYNJ2GAAKDM4EABL1
SCHEMBL26103746 0.74 LGALS8 (0.44) LGALS8SYNJ2GAAKDM4EABL1
SCHEMBL16218793 0.74 LGALS8 (0.44) LGALS8SYNJ2GAAKDM4EABL1

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
EP-0741139-A1 Sulphuric acid esters of amino sugars F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 — — EP disclosed
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