SCHEMBL20510352

SCHEMBL20510352

O=C(CCOCC(COCCC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(COCCC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)NC(=O)CCC(=O)OCc1ccccc1)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.42
▸ MAOB P27338 1/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ SYNJ2 O15056 2/20 0.36
▸ MGMT P16455 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GALK1 P51570 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ RIN1 Q13671 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
Water SCHEMBL20510391 0.95 LGALS8 (0.39) LGALS8MAOBSLC6A2SYNJ2MGMT
SCHEMBL20510248 0.84 IGF2R (0.41) LGALS8MAOB
SCHEMBL26349835 0.84 MAOB (0.39) LGALS8MAOBSLC6A2SLC5A1SLC5A2
SCHEMBL20510818 0.80 MDK (0.35) MAOB
Water SCHEMBL20510246 0.80 IGF2R (0.41) MAOB
SCHEMBL22750109 0.79 LGALS8 (0.46) LGALS8MAOBSYNJ2MGMTKDM4E
SCHEMBL25243911 0.78 MMP13 (0.44) LGALS8MAOBSYNJ2MGMTKDM4E
SCHEMBL29454860 0.78 MMP13 (0.44) LGALS8MAOBSYNJ2MGMTKDM4E
SCHEMBL28333071 0.78 LMNA (0.54) LGALS8MAOBSYNJ2MGMTKDM4E
SCHEMBL30891325 0.77 HTT (0.46) LGALS8MAOBMGMT

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-3600381-A1 GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES Merck Sharp & Dohme Corp. (US) 2020-02-05 — — EP disclosed
WO-2018175272-A1 GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2018-09-27 — — WO disclosed
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