SCHEMBL29410624

SCHEMBL29410624

CCOC(=O)COC[C@H]1OC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.52
▸ CDC25B P30305 8/20 0.52
▸ TACR2 P21452 2/20 0.51
▸ PTPN2 P17706 6/20 0.51
▸ PTPN11 Q06124 5/20 0.51
▸ PTPN6 P29350 4/20 0.51
▸ SSTR1 P30872 1/20 0.50
▸ SSTR2 P30874 1/20 0.50
▸ SSTR4 P31391 1/20 0.50
▸ SSTR3 P32745 1/20 0.50
▸ SSTR5 P35346 1/20 0.50
▸ NT5E P21589 1/20 0.48

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
SCHEMBL26349703 0.91 TACR2 (0.45) PTPN1CDC25BTACR2PTPN2PTPN11
SCHEMBL29410628 0.86 PTPN1 (0.56) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL18405449 0.83 TACR2 (0.58) PTPN1CDC25BTACR2PTPN2PTPN11
SCHEMBL38652098 0.82 PTPN1 (0.49) PTPN1CDC25BTACR2PTPN2PTPN11
SCHEMBL26354602 0.81 TACR2 (0.46) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL23226955 0.81 PTPN1 (0.55) PTPN1CDC25BTACR2PTPN2PTPN11
SCHEMBL23220268 0.81 PTPN1 (0.55) PTPN1CDC25BTACR2PTPN2PTPN11
SCHEMBL19400292 0.81 SSTR1 (0.58) PTPN1CDC25BTACR2PTPN2PTPN11
SCHEMBL977853 0.80 SSTR1 (0.59) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL6544934 0.80 SSTR1 (0.59) PTPN1CDC25BPTPN2PTPN11PTPN6

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-4200022-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF Reyoung Corporation (US) 2023-06-28 — — EP disclosed
WO-2022040487-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF REYOUNG CORPORATION (US) 2022-02-24 — — WO disclosed
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