SCHEMBL31333744

SCHEMBL31333744

CC(C)(C)OC(=O)CC1(O)CCN(CC2CCN(c3ccc([N+](=O)[O-])c(O)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.44
MAPT P10636 14/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 7/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL31334881 0.87 SIRT6 (0.48) SIRT6MAPTTHRBPKMALDH1A1
SCHEMBL31333435 0.83 MAPT (0.55) SIRT6MAPTTHRBPKMALDH1A1
SCHEMBL31333248 0.81 MAPT (0.55) SIRT6MAPTTHRBPKMALDH1A1
SCHEMBL31333447 0.81 DRD2 (0.47) SIRT6MAPTTHRBPKMALDH1A1
SCHEMBL23538376 0.79 MEN1 (0.43) SIRT6MAPTALDH1A1LMNAMEN1
SCHEMBL29744877 0.79 MEN1 (0.43) SIRT6MAPTALDH1A1LMNAMEN1
SCHEMBL14406629 0.77 MAPT (0.56) SIRT6MAPTTHRBPKMALDH1A1
SCHEMBL31333569 0.76 ENPP2 (0.38)
SCHEMBL25173075 0.76 MAPT (0.60) SIRT6MAPTALDH1A1LMNAMEN1
SCHEMBL31334467 0.75 SIRT6 (0.50) SIRT6MAPTTHRBPKMALDH1A1

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed