SCHEMBL29709891

SCHEMBL29709891

CC(CO)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 1/20 0.52
▸ STAT3 P40763 1/20 0.44

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
Nagilactone E SCHEMBL30496589 0.73 JUN (0.65) JUNSTAT3
SCHEMBL18034508 0.56 LMNA (0.33) STAT3
SCHEMBL18034497 0.56 LMNA (0.46) —
SCHEMBL17853715 0.55 UBE2D3 (0.31) —
SCHEMBL18034519 0.54 JUN (0.40) JUNSTAT3
SCHEMBL11989123 0.54 MGAM (0.31) —
SCHEMBL18034517 0.52 JUN (0.57) JUNSTAT3
SCHEMBL19052044 0.51 PPARG (0.33) —
SCHEMBL12464454 0.47 HIF1A (0.33) —
SCHEMBL1827849 0.46 LMNA (0.38) —

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
CN-107405330-B Bamboo Bai ester compound with hypolipidemic activity, and preparation method and application thereof 中国科学院上海药物研究所 2023-08-01 — — CN disclosed
WO-2022143617-A1 NAGILACTONE COMPOUND AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUG 中国科学院上海药物研究所 2022-07-07 — — WO disclosed
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