SCHEMBL17167003

SCHEMBL17167003

O=C(O)C1=CC(O)[C@H](O)[C@H](O[C@H]2[C@H](O)C(NS(=O)(=O)O)C(O)O[C@@H]2CO)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AMY2A P04746 8/20 0.36
▸ GAA P10253 4/20 0.36
▸ MGAM O43451 2/20 0.36
▸ AMY1A P0DUB6 2/20 0.36
▸ SI P14410 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ LGALS3 P17931 3/20 0.35
▸ F10 P00742 2/20 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
SCHEMBL15395241 1.00 AMY2A (0.36) AMY2AGAAMGAMAMY1ASI
SCHEMBL15395198 1.00 AMY2A (0.36) AMY2AGAAMGAMAMY1ASI
SCHEMBL15395283 0.91 AMY2A (0.38) AMY2AGAAMGAMAMY1ASI
SCHEMBL15395213 0.91 AMY2A (0.38) AMY2AGAAMGAMAMY1ASI
SCHEMBL15395212 0.90 F10 (0.40) AMY2AGAAMGAMAMY1ASI
SCHEMBL29941503 0.90 F10 (0.40) AMY2AGAAMGAMAMY1ASI
SCHEMBL19863440 0.90 F10 (0.33) AMY2AGAAMGAMAMY1ASI
SCHEMBL17167017 0.90 AMY2A (0.37) AMY2AGAAMGAMAMY1ASI
SCHEMBL30043156 0.90 F10 (0.48) AMY2AGAAMGAMAMY1ASI
SCHEMBL15395242 0.89 F10 (0.44) F10

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-2667186-B1 FINE STRUCTURE DETERMINATION METHOD OF ENOXAPARIN SODIUM BASED ON CAPILLARY ELECTROPHORESIS Hangzhou jiuyuan gene engineering co ltd (CN) 2015-10-14 — — EP disclosed
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