SCHEMBL30391545

SCHEMBL30391545

O=C(NCCCCCCN(CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCO[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](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ FGF1 P05230 1/20 0.41
▸ FGF2 P09038 1/20 0.41
▸ VEGFA P15692 1/20 0.41
▸ HPSE Q9Y251 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CD209 Q9NNX6 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ LGALS3 P17931 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ HRAS P01112 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ ENGASE Q8NFI3 1/20 0.37
▸ HTT P42858 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
SCHEMBL30891388 0.91 TGM2 (0.44) LGALS8MMP13MAOBTGM2HTT
SCHEMBL29880337 0.88 MMP13 (0.46) LGALS8PRKCAFGF1FGF2VEGFA
SCHEMBL30891369 0.88 MMP13 (0.46) LGALS8PRKCAFGF1FGF2VEGFA
SCHEMBL30891312 0.88 MMP13 (0.46) LGALS8PRKCAFGF1FGF2VEGFA
SCHEMBL30891306 0.87 MMP13 (0.47) LGALS8PRKCAFGF1FGF2VEGFA
SCHEMBL30891501 0.86 MMP13 (0.42) LGALS8PRKCAFGF1FGF2VEGFA
SCHEMBL20511211 0.85 CD209 (0.48) LGALS8PRKCAFGF1FGF2VEGFA
SCHEMBL12094119 0.84 LGALS3 (0.54) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL19036050 0.84 LGALS3 (0.54) LGALS8FGF1FGF2VEGFAHPSE
SCHEMBL12094113 0.84 LGALS3 (0.54) LGALS8FGF1FGF2VEGFAHPSE

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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