SCHEMBL29974351

SCHEMBL29974351

CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)CC23C(=O)OC2OC(=O)[C@H](O[Si](C)(C)C)C231

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.72
▸ THRB P10828 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72

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
Bilobalide SCHEMBL14029382 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL29410789 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL19236272 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL13960090 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL29410808 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL16653675 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL18327718 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
Bilobalide SCHEMBL16452769 0.84 KMT2A (1.00) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL19274834 0.73 MEN1 (0.62) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31364706 0.70 MEN1 (0.65) MEN1THRBALOX15KMT2ASMN1; SMN2

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-115141169-B Terpene lactone derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-09-08 — — CN disclosed
CN-115141169-A Terpene lactone derivative and application thereof in medicine 成都百裕制药股份有限公司 2022-10-04 — — CN disclosed
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