SCHEMBL27262199

SCHEMBL27262199

C=Cc1c(NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TGFBR1 P36897 4/20 0.52
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DNMT3A Q9Y6K1 1/20 0.47
STS P08842 3/20 0.46
NSD2 O96028 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
PDE4B Q07343 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
BRD4 O60885 1/20 0.43
KDM1A O60341 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
SCHEMBL27262201 0.91 ALDH1A1 (0.56) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL1673587 0.86 ALDH1A1 (0.63) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL29744615 0.86 ALDH1A1 (0.63) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL4117538 0.85 ALDH1A1 (0.60) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL22605462 0.84 ALDH1A1 (0.58) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL27262196 0.84 ALDH1A1 (0.58) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL27262170 0.83 ALDH1A1 (0.55) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL22588143 0.81 ALDH1A1 (0.55) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL30870644 0.81 ALDH1A1 (0.55) ALDH1A1TGFBR1NPC1MAPTMAPK1
SCHEMBL17376175 0.79 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