SCHEMBL30052037

SCHEMBL30052037

O=C(O)CCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.53
▸ PTPN1 P18031 11/20 0.53
▸ CDC25B P30305 8/20 0.53
▸ PTPN2 P17706 6/20 0.53
▸ PTPN11 Q06124 5/20 0.53
▸ PTPN6 P29350 4/20 0.53
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ SSTR1 P30872 1/20 0.45
▸ SSTR2 P30874 1/20 0.45
▸ SSTR4 P31391 1/20 0.45
▸ SSTR3 P32745 1/20 0.45
▸ SSTR5 P35346 1/20 0.45
▸ HTR1A P08908 1/20 0.42

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
SCHEMBL22750896 0.85 PTPN1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL990249 0.85 PTPN1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL19479697 0.84 PTPN1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6809789 0.83 SSTR1 (0.59) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL977853 0.83 SSTR1 (0.59) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6544934 0.83 SSTR1 (0.59) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL990411 0.83 SSTR1 (0.59) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6232795 0.82 NT5E (0.58) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6229377 0.82 NT5E (0.58) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6233127 0.82 NT5E (0.58) NT5EPTPN1CDC25BPTPN2PTPN11

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-115286684-A Conjugate of sugar and triptolide or derivatives thereof, and preparation method and application thereof 福建医科大学 2022-11-04 — — CN disclosed
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