SCHEMBL30391867

SCHEMBL30391867

O=C(CN(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)NCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LGALS8 O00214 1/20 0.41
▸ MGMT P16455 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ DOT1L Q8TEK3 1/20 0.39
▸ SYNJ2 O15056 1/20 0.39

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
SCHEMBL30391887 0.94 MMP13 (0.45) LMNASMN1; SMN2TGM2MAOBMMP13
SCHEMBL30891341 0.92 MAOB (0.40) LMNASMN1; SMN2TGM2MAOBMMP13
SCHEMBL25243911 0.91 MMP13 (0.44) MAOBMMP13LGALS8MGMTSYNJ2
SCHEMBL29454860 0.91 MMP13 (0.44) MAOBMMP13LGALS8MGMTSYNJ2
SCHEMBL22750141 0.91 FOLH1 (0.49) TGM2
SCHEMBL30891325 0.91 HTT (0.46) LMNASMN1; SMN2TGM2MAOBMMP13
SCHEMBL30391620 0.91 HTT (0.46) LMNASMN1; SMN2TGM2MAOBMMP13
SCHEMBL30661931 0.90 MMP13 (0.40) TGM2MAOBMMP13HTTLGALS8
SCHEMBL30891318 0.90 MMP13 (0.40) TGM2MAOBMMP13HTTLGALS8
SCHEMBL30391836 0.90 HTT (0.39) LMNASMN1; SMN2TGM2MAOBMMP13

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
Send feedback