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Sugi Predict / Compounds / SCHEMBL30891374

SCHEMBL30891374

SCHEMBL30891374

O=C(O)C[C@H](NC(=O)CCCCC(=O)OCc1ccccc1)C(=O)NCCCCCC(=O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.40
▸ CD209 Q9NNX6 1/20 0.40
▸ LGALS8 O00214 1/20 0.39
▸ FGF1 P05230 2/20 0.39
▸ FGF2 P09038 2/20 0.39
▸ VEGFA P15692 2/20 0.39
▸ HPSE Q9Y251 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PTGER4 P35408 3/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ 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

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
SCHEMBL30891385 1.00 MMP13 (0.40) MMP13CD209LGALS8FGF1FGF2
SCHEMBL30891421 0.92 SIRT2 (0.43) MMP13CD209LGALS8FGF1FGF2
SCHEMBL29454865 0.92 LGALS8 (0.41) CD209LGALS8FGF1FGF2VEGFA
SCHEMBL30891472 0.92 MMP13 (0.41) MMP13CD209LGALS8FGF1FGF2
SCHEMBL30891274 0.91 LGALS8 (0.41) MMP13CD209LGALS8FGF1FGF2
SCHEMBL30392232 0.90 SIRT2 (0.44) MMP13CD209FGF1FGF2VEGFA
SCHEMBL31313929 0.90 SIRT2 (0.45) MMP13FGF1FGF2VEGFAHPSE
SCHEMBL30891359 0.90 MMP13 (0.42) MMP13CD209LGALS8FGF1FGF2
SCHEMBL18132301 0.90 LGALS8 (0.42) MMP13CD209LGALS8FGF1FGF2
SCHEMBL20510600 0.89 SYNJ2 (0.45) LGALS8OPRM1OPRD1OPRK1PTGER4

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-4615487-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A PENTA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2024102633-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A PENTA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
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