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Sugi Predict / Compounds / SCHEMBL22774330

SCHEMBL22774330

SCHEMBL22774330

O=C(OC[C@H]1O[C@@](COC(=O)c2ccccc2)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ LGALS3 P17931 3/20 0.40
▸ LGALS9 O00182 2/20 0.40
▸ LGALS1 P09382 2/20 0.40
▸ LGALS7; LGALS7B P47929 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ SLC22A1 O15245 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ SYNJ2 O15056 3/20 0.37
▸ SELP P16109 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ F11 P03951 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36

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
SCHEMBL11032157 0.93 MAPT (0.46) MAPTEPHX2LGALS3LGALS9LGALS1
SCHEMBL22774113 0.93 MAPT (0.46) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL14903566 0.89 MAPT (0.49) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL10310560 0.89 MAPT (0.49) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL14906687 0.89 MAPT (0.49) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL343136 0.89 MAPT (0.49) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL10310585 0.89 MAPT (0.49) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL14680922 0.88 MAPT (0.50) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL14679917 0.88 MAPT (0.50) MAPTPTPN1SLC22A1SYNJ2MEN1
SCHEMBL21768322 0.85 EPHX2 (0.43) MAPTEPHX2LGALS3LGALS9LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3982922-A1 DISSACHARIDE FORMULATIONS FOR CONTROLLED DRUG RELEASE Technical University of Denmark (DK) 2022-04-20 — — EP disclosed
WO-2020249801-A1 DISSACHARIDE FORMULATIONS FOR CONTROLLED DRUG RELEASE TECHNICAL UNIVERSITY OF DENMARK (DK) 2020-12-17 — — WO disclosed
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