SCHEMBL25433251

SCHEMBL25433251

C[C@H](CC#C[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.57
▸ CDC25B P30305 2/20 0.57
▸ GPBAR1 Q8TDU6 15/20 0.42
▸ NR1H4 Q96RI1 2/20 0.36
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ EFNA1 P20827 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL25433253 1.00 CDC25A (0.57) CDC25ACDC25BGPBAR1NR1H4AKR1B10
SCHEMBL25432900 0.81 CDC25A (0.42) CDC25ACDC25BGPBAR1AKR1B10AKR1B1
SCHEMBL25432898 0.81 CDC25A (0.42) CDC25ACDC25BGPBAR1AKR1B10AKR1B1
SCHEMBL18271594 0.81 CDC25A (0.63) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL10857860 0.81 CDC25A (0.63) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL10857773 0.81 CDC25A (0.63) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL9679574 0.81 CDC25A (0.56) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL9718353 0.81 CDC25A (0.56) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL15494063 0.78 CDC25A (0.69) CDC25ACDC25BGPBAR1NR1H4AKR1B10
SCHEMBL10125341 0.78 CDC25A (0.69) CDC25ACDC25BGPBAR1NR1H4AKR1B10

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
EP-4486441-A1 SILA-ANALOGUES OF VITAMIN D COMPOUNDS, METHOD OF PRODUCING SAID COMPOUNDS AND USES THEREOF REQUIMTE - Rede de Química e Tecnologia (PT) 2025-01-08 — — EP disclosed
WO-2023161688-A1 SILA-ANALOGUES OF VITAMIN D COMPOUNDS, METHOD OF PRODUCING SAID COMPOUNDS AND USES THEREOF REQUIMTE - REDE DE QUÍMICA E TECNOLOGIA (PT) 2023-08-31 — — WO disclosed
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