Sugi Predict

Sugi Predict / Compounds / SCHEMBL20510638

SCHEMBL20510638

SCHEMBL20510638

O=C(CN(CCCC(=O)OCc1ccccc1)CCN(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ MMP13 P45452 2/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ SYNJ2 O15056 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL25243911 0.91 MMP13 (0.44) LGALS8MAOBMMP13SYNJ2KDM4E
SCHEMBL29454860 0.91 MMP13 (0.44) LGALS8MAOBMMP13SYNJ2KDM4E
SCHEMBL29415360 0.89 MMP13 (0.43) LGALS8MAOBMMP13SYNJ2KDM4E
SCHEMBL30392241 0.89 MMP13 (0.43) LGALS8MAOBMMP13SYNJ2KDM4E
SCHEMBL25417921 0.89 MMP13 (0.43) LGALS8MAOBMMP13SYNJ2KDM4E
SCHEMBL22750109 0.87 LGALS8 (0.46) LGALS8MAOBMMP13MMP1MMP7
SCHEMBL30391847 0.85 LGALS8 (0.41) LGALS8MAOBMMP13MMP1MMP7
SCHEMBL30891356 0.85 LGALS8 (0.41) LGALS8MAOBMMP13MMP1MMP7
SCHEMBL30391939 0.84 LGALS8 (0.39) LGALS8MAOBMMP13MMP1MMP7
SCHEMBL30391867 0.84 LMNA (0.43) LGALS8MAOBMMP13SYNJ2MGMT

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
Send feedback