SCHEMBL29454894

SCHEMBL29454894

C[C@@H]1O[C@@H](OCCNC(=O)CN(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KEAP1 Q14145 3/20 0.41
▸ NFE2L2 Q16236 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ FGF1 P05230 2/20 0.38
▸ VEGFA P15692 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38

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
SCHEMBL30392003 1.00 LMNA (0.44) LMNASMN1; SMN2TGM2HTTL3MBTL1
SCHEMBL30891263 0.97 HTT (0.43) LMNASMN1; SMN2TGM2HTTL3MBTL1
SCHEMBL30391643 0.97 HTT (0.43) LMNASMN1; SMN2TGM2HTTL3MBTL1
SCHEMBL20510407 0.94 HTT (0.42) LMNASMN1; SMN2TGM2HTTL3MBTL1
SCHEMBL16621421 0.91 EPHX2 (0.43) HTTSIRT2FGF1VEGFA
SCHEMBL30891477 0.91 HTT (0.47) LMNASMN1; SMN2TGM2HTTL3MBTL1
SCHEMBL30891352 0.91 FOLH1 (0.42) FOLH1SIRT2
SCHEMBL30891397 0.89 SIRT2 (0.48) FOLH1SIRT2
SCHEMBL23575125 0.89 EPHX2 (0.41) HTTFOLH1SIRT2FGF1VEGFA
SCHEMBL23497304 0.89 FOLH1 (0.42) FOLH1SIRT2

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 3 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
EP-3980052-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2022-04-13 — — EP disclosed
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