SCHEMBL23781798

SCHEMBL23781798

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CCCC4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 6/20 0.43
▸ CDC25A P30304 9/20 0.41
▸ CDC25B P30305 6/20 0.41
▸ NPC1L1 Q9UHC9 2/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL29364678 0.79 CDC25A (0.50) EBPCDC25ACDC25B
SCHEMBL16533990 0.71 HMGCR (0.45) EBPCDC25A
SCHEMBL29410405 0.70 CDC25A (0.51) EBPCDC25ACDC25BNPC1L1USP2
SCHEMBL29398347 0.70 CDC25A (0.51) EBPCDC25ACDC25BNPC1L1USP2
SCHEMBL332666 0.70 CDC25A (0.51) EBPCDC25ACDC25BNPC1L1USP2
SCHEMBL29527487 0.70 CDC25A (0.51) EBPCDC25ACDC25BNPC1L1USP2
SCHEMBL11046219 0.68 EBP (0.48) EBPCDC25ACDC25BNPC1L1FNTA
SCHEMBL11046212 0.68 EBP (0.48) EBPCDC25ACDC25BNPC1L1FNTA
SCHEMBL11046214 0.68 EBP (0.48) EBPCDC25ACDC25BNPC1L1FNTA
SCHEMBL18823351 0.67 TOP2A (0.41) FNTAFNTB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230061835-A1 11-OXO CUCURBITANES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2023-03-02 — — US disclosed
US-20230061835-A1 11-OXO CUCURBITANES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2023-03-02 — — US disclosed
CN-114127084-A 11-oxo-cucurbitanes and their use as flavour modifiers 弗门尼舍有限公司 2022-03-01 — — CN disclosed
CN-114127084-A 11-oxo-cucurbitanes and their use as flavour modifiers 弗门尼舍有限公司 2022-03-01 — — CN disclosed
CN-114127084-A 11-oxo-cucurbitanes and their use as flavour modifiers 弗门尼舍有限公司 2022-03-01 — — CN disclosed
WO-2021175751-A1 11-OXO-CUCURBITANES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2021-09-10 — — WO disclosed
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