SCHEMBL25129684

SCHEMBL25129684

COC(=O)CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HIF1A Q16665 4/20 0.46
DGAT1 O75907 1/20 0.44
LTA4H P09960 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LIPG Q9Y5X9 5/20 0.40
LPL P06858 4/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL31425339 0.93 AAK1 (0.47) AAK1CA1CA2CA9HIF1A
SCHEMBL1621389 0.87 CYSLTR2 (0.46) AAK1CA1CA2CA9HIF1A
SCHEMBL3815449 0.86 LIPG (0.50) AAK1CA1CA2CA9HIF1A
SCHEMBL20294529 0.86 AAK1 (0.54) AAK1CA1CA2CA9HIF1A
SCHEMBL28571132 0.85 HIF1A (0.54) AAK1CA1CA2CA9HIF1A
SCHEMBL1284944 0.83 LTA4H (0.46) AAK1CA1CA2CA9HIF1A
SCHEMBL19511152 0.82 LIPG (0.58) CA1CA2CA9DGAT1LIPG
SCHEMBL1284846 0.82 LTA4H (0.45) CA1CA2CA9HIF1ALTA4H
SCHEMBL1285208 0.82 LTA4H (0.45) CA1CA2CA9HIF1ALTA4H
SCHEMBL28499681 0.82 L3MBTL1 (0.55) AAK1CA1CA2CA9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408475-A1 CONJUGATES OF GLUCAGON AND AMPK ACTIVATORS Københavns Universitet (DK) 2024-08-07 EP disclosed
WO-2023052415-A1 CONJUGATES OF GLUCAGON AND AMPK ACTIVATORS Københavns Universitet (DK) 2023-04-06 WO disclosed
WO-2023052415-A1 CONJUGATES OF GLUCAGON AND AMPK ACTIVATORS Københavns Universitet (DK) 2023-04-06 WO disclosed