SCHEMBL31364729

SCHEMBL31364729

CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2N(Cc4ccccc4)C(=O)[C@H](OC(=O)c4ccccc4)[C@]213

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31364730 1.00 MEN1 (0.43) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364717 0.90 MEN1 (0.42) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364723 0.88 MEN1 (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364712 0.88 MEN1 (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364741 0.88 MEN1 (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364707 0.88 MEN1 (0.40) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364696 0.88 MEN1 (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364735 0.88 MEN1 (0.43) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364736 0.88 MEN1 (0.46) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364754 0.87 MEN1 (0.46) MEN1KMT2ATHRBALOX15SMN1; 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-122029157-A Bilobalide derivatives for the treatment of neurological diseases and cancers 香港中文大学 2026-05-12 — — CN disclosed
WO-2025031304-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-02-13 — — WO disclosed
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