SCHEMBL29249667

SCHEMBL29249667

COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2N2C(O)c3ccccc3C2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.44
▸ PTPN2 P17706 4/20 0.43
▸ GJB2 P29033 3/20 0.43
▸ PTPN11 Q06124 3/20 0.43
▸ GJA1 P17302 1/20 0.43
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ CDC25B P30305 6/20 0.41
▸ PTPN6 P29350 2/20 0.40
▸ NT5E P21589 1/20 0.40

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
SCHEMBL29092818 0.91 SSTR5 (0.41) PTPN1PTPN2GJB2PTPN11GJA1
SCHEMBL29092814 0.91 SSTR5 (0.41) PTPN1PTPN2GJB2PTPN11GJA1
SCHEMBL29092237 0.91 GJB2 (0.45) PTPN1PTPN2GJB2PTPN11GJA1
SCHEMBL29249623 0.90 GJB2 (0.49) GJB2GJA1
SCHEMBL29092324 0.89 GJB2 (0.42) PTPN1PTPN2GJB2GJA1SSTR1
SCHEMBL29092266 0.87 NT5E (0.41) PTPN1PTPN2GJB2PTPN11GJA1
SCHEMBL29249672 0.87 CYP3A4 (0.43) —
SCHEMBL29249682 0.86 PTPN1 (0.47) PTPN1PTPN2GJB2PTPN11SSTR1
SCHEMBL29249685 0.86 PTPN1 (0.47) PTPN1PTPN2GJB2PTPN11SSTR1
SCHEMBL29092821 0.84 SSTR5 (0.44) GJB2GJA1SSTR1SSTR2SSTR4

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-118302451-A Novel oligosaccharide, intermediate for producing the oligosaccharide, and process for producing the same 第一三共株式会社 2024-07-05 — — CN disclosed
Send feedback