SCHEMBL25439441

SCHEMBL25439441

CC(C)(C)C(OCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.47
HIF1A Q16665 4/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DGAT1 O75907 2/20 0.40
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
LIPG Q9Y5X9 3/20 0.38
LPL P06858 2/20 0.38
P4HB P07237 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
SCHEMBL4084426 0.82 CA1 (0.47) AAK1HIF1ACA1CA2CA9
SCHEMBL427591 0.79 CA1 (0.56) AAK1HIF1ACA1CA2CA9
SCHEMBL578428 0.78 CA1 (0.47) AAK1HIF1ACA1CA2CA9
SCHEMBL28499681 0.77 L3MBTL1 (0.55) AAK1HIF1ACA1CA2CA9
SCHEMBL3815449 0.76 LIPG (0.50) AAK1HIF1ACA1CA2CA9
SCHEMBL17466901 0.75 CA1 (0.45) AAK1HIF1ACA1CA2CA9
SCHEMBL12224514 0.75 LIPG (0.47) AAK1HIF1ACA1CA2CA9
SCHEMBL12224516 0.75 LIPG (0.47) AAK1HIF1ACA1CA2CA9
SCHEMBL21973818 0.75 CA1 (0.45) AAK1HIF1ACA1CA2CA9
SCHEMBL20305691 0.75 HIF1A (0.47) AAK1HIF1ACA1CA2CA9

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-4452978-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 EP disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed