SCHEMBL29092237

SCHEMBL29092237

COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](OCc4ccccc4)[C@H](O)[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2N2C(O)c3ccccc3C2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 6/20 0.45
▸ GJA1 P17302 4/20 0.45
▸ SLC6A2 P23975 2/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ CDC25B P30305 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ SLC5A1 P13866 1/20 0.35
▸ SLC5A2 P31639 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
SCHEMBL29249623 0.92 GJB2 (0.49) GJB2GJA1SLC6A2SLC5A1SLC5A2
SCHEMBL29249667 0.91 PTPN1 (0.44) GJB2GJA1PTPN1CDC25BPTPN2
SCHEMBL29092814 0.89 SSTR5 (0.41) GJB2GJA1PTPN1CDC25BPTPN2
SCHEMBL29092818 0.89 SSTR5 (0.41) GJB2GJA1PTPN1CDC25BPTPN2
SCHEMBL29092821 0.87 SSTR5 (0.44) GJB2GJA1SLC6A2
SCHEMBL29092823 0.87 SSTR5 (0.44) GJB2GJA1SLC6A2
SCHEMBL29092324 0.87 GJB2 (0.42) GJB2GJA1SLC6A2PTPN1CDC25B
SCHEMBL27001596 0.86 LGALS3 (0.46) GJB2GJA1SLC6A2PTPN1CDC25B
SCHEMBL27001590 0.86 GJB2 (0.55) GJB2GJA1SLC6A2
SCHEMBL29092266 0.84 NT5E (0.41) GJB2GJA1PTPN1CDC25BPTPN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917341-A Sugar chain and method for producing pharmaceutical product containing sugar chain 第一三共株式会社 2023-10-20 — — CN disclosed
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