Sugi Predict

Sugi Predict / Compounds / SCHEMBL30891269

SCHEMBL30891269

SCHEMBL30891269

O=C(O)CN(CC(=O)NCCCCCC(=O)OCc1ccccc1)CC(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(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](O)[C@H](O)[C@@H]1O)C(=O)NCCCCCC(=O)N(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](O)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGER4 P35408 3/20 0.39
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ TPSAB1 Q15661 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ FOLH1 Q04609 2/20 0.36
▸ SYNJ2 O15056 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALPI P09923 1/20 0.35

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
SCHEMBL30891479 0.93 SIRT2 (0.47) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30891431 0.92 SIRT2 (0.50) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30392029 0.91 SIRT2 (0.46) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30891340 0.91 MMP13 (0.40) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL32664831 0.90 MMP13 (0.41) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30891478 0.90 MMP13 (0.41) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30891364 0.90 MMP13 (0.41) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30891324 0.90 MMP13 (0.41) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL32665150 0.90 MMP13 (0.41) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL30661903 0.90 MMP13 (0.41) SIRT2MEN1ALDH1A1HPGDKMT2A

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
Send feedback