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Sugi Predict / Compounds / SCHEMBL30391571

SCHEMBL30391571

SCHEMBL30391571

C[C@@H]1O[C@@H](OCCNC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)NCCO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)CC(=O)NCCCCCC(=O)OCc2ccccc2)CC(=O)N(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.44
▸ FGF1 P05230 4/20 0.38
▸ VEGFA P15692 3/20 0.38
▸ FGF2 P09038 3/20 0.38
▸ HPSE Q9Y251 2/20 0.38
▸ SELE P16581 1/20 0.38
▸ LGALS8 O00214 1/20 0.38
▸ SELP P16109 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MDK P21741 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ CD209 Q9NNX6 1/20 0.34
▸ PRKCA P17252 1/20 0.34

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
SCHEMBL30891371 0.96 MMP13 (0.45) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891323 0.94 MMP13 (0.45) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL15130853 0.92 MMP13 (0.47) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891378 0.90 MMP13 (0.46) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891307 0.90 MMP13 (0.46) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30391583 0.90 MMP13 (0.46) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891273 0.90 MMP13 (0.46) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891493 0.89 MMP13 (0.41) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891315 0.89 MMP13 (0.41) MMP13FGF1VEGFAFGF2HPSE
SCHEMBL30891466 0.89 MMP13 (0.41) MMP13FGF1VEGFAFGF2HPSE

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-4436610-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A TETRA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES Merck Sharp & Dohme LLC (US) 2024-10-02 — — EP disclosed
WO-2023091441-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A TETRA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME LLC (US) 2023-05-25 — — WO disclosed
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