SCHEMBL28831684

SCHEMBL28831684

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3CC[C@H]4C(C)(C)C(O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.54
▸ EBP Q15125 7/20 0.53
▸ CDC25A P30304 5/20 0.49
▸ CDC25B P30305 5/20 0.49
▸ NPC1L1 Q9UHC9 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ACLY P53396 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.42

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
SCHEMBL4104338 0.87 HMGCR (0.44) HMGCREBPUSP2LMNAACLY
SCHEMBL15233192 0.86 SLC10A1 (0.42) HMGCRUSP2LMNAACLYACACA
SCHEMBL16488039 0.86 SLC10A1 (0.42) HMGCRUSP2LMNAACLYACACA
SCHEMBL9766753 0.85 HMGCR (0.49) HMGCREBPCDC25ACDC25BNPC1L1
SCHEMBL9766747 0.85 HMGCR (0.49) HMGCREBPCDC25ACDC25BNPC1L1
SCHEMBL24285051 0.84 ACLY (0.54) HMGCRUSP2LMNAACLYACACA
SCHEMBL17431782 0.84 HSD11B1 (0.55) HMGCRACLYACACASLC10A1
SCHEMBL6687443 0.83 CYP2D6 (0.59) CDC25ACDC25BNPC1L1MEN1USP2
SCHEMBL27568855 0.83 CYP2D6 (0.59) CDC25ACDC25BNPC1L1MEN1USP2
SCHEMBL332666 0.82 CDC25A (0.51) EBPCDC25ACDC25BNPC1L1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217364612-U Poria cocos processing is with quick boiling device 湖南茯神科技有限公司 2022-09-06 — — CN disclosed
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