SCHEMBL31219554

SCHEMBL31219554

C[Si](C)(C)C#Cc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
MMP12 P39900 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NR3C2 P08235 1/20 0.46
GRIN1 Q05586 1/20 0.46
PARP1 P09874 1/20 0.43
NSD2 O96028 2/20 0.43
CPT1A P50416 1/20 0.42
DRD4 P21917 6/20 0.41
DRD3 P35462 6/20 0.41
DRD2 P14416 5/20 0.41
KIF11 P52732 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL6394244 0.89 NR3C2 (0.58) MMP12PDE3BPDE3ANR3C2PARP1
SCHEMBL31219742 0.79 CYP11B1 (0.48) CYP11B1CYP11B2MMP12PDE3BPDE3A
SCHEMBL8192358 0.79 CYP11B1 (0.48) CYP11B1CYP11B2MMP12PDE3BPDE3A
SCHEMBL16049362 0.77 AHR (0.49) CYP11B1CYP11B2PDE3BPDE3AGRIN1
SCHEMBL280003 0.73 MMP12 (0.75) CYP11B1CYP11B2MMP12PDE3BPDE3A
SCHEMBL8629043 0.73 RARB (0.50)
SCHEMBL8631884 0.70 RARB (0.63) NR3C2
SCHEMBL304249 0.70 DRD4 (0.56) CYP11B1CYP11B2MMP12PDE3BPDE3A
SCHEMBL3594625 0.70 MMP12 (0.51) CYP11B1CYP11B2MMP12PDE3BPDE3A
SCHEMBL276741 0.70 MMP12 (0.51) CYP11B1CYP11B2MMP12PDE3BPDE3A

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-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed