SCHEMBL27262201

SCHEMBL27262201

COc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TGFBR1 P36897 4/20 0.53
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
STS P08842 3/20 0.47
NSD2 O96028 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.45
BRD4 O60885 1/20 0.44
DYRK1A Q13627 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
CCR8 P51685 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL27262199 0.91 ALDH1A1 (0.55) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL1673587 0.87 ALDH1A1 (0.63) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL29744615 0.87 ALDH1A1 (0.63) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL4117538 0.86 ALDH1A1 (0.60) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL27262196 0.85 ALDH1A1 (0.58) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL22605462 0.85 ALDH1A1 (0.58) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL30826673 0.84 PDE4B (0.55) ALDH1A1TGFBR1STSPDE4APDE4B
SCHEMBL27262171 0.83 ALDH1A1 (0.56) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL30870644 0.82 ALDH1A1 (0.55) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL22588143 0.82 ALDH1A1 (0.55) ALDH1A1TGFBR1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064026-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed