SCHEMBL26987071

SCHEMBL26987071

C=CC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MDM2 Q00987 2/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ TACR2 P21452 3/20 0.42
▸ PTPN1 P18031 8/20 0.42
▸ CDC25B P30305 7/20 0.42
▸ PTPN2 P17706 4/20 0.42
▸ PTPN6 P29350 3/20 0.42
▸ PTPN11 Q06124 3/20 0.42
▸ CDC25A P30304 2/20 0.42
▸ SSTR4 P31391 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL12612570 0.89 PTPN1 (0.50) NT5ETP53MDM2MDM4HSP90AA1
SCHEMBL14001397 0.89 PTPN1 (0.50) NT5ETP53MDM2MDM4HSP90AA1
SCHEMBL8733842 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL21013401 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL1033003 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL1033002 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL16632221 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL16229071 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL16632218 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL13164470 0.79 HTR1A (0.49) NT5ETACR2PTPN1CDC25BPTPN2

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-4551582-A1 C-GLYCOSIDES AS ANTI-INFLAMMATORY AGENTS University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2025-05-14 — — EP disclosed
WO-2024010959-A1 C-GLYCOSIDES AS ANTI-INFLAMMATORY AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-01-11 — — WO disclosed
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