SCHEMBL29254352

SCHEMBL29254352

COc1cc(CCC(C)=O)ccc1OC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.42
LTA4H P09960 2/20 0.42

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
SCHEMBL13311132 0.97 MEN1 (0.49) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL5183306 0.81 PDE4B (0.52) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL13311130 0.79 ACHE (0.49) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL269005 0.78 NPC1 (0.61) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL5645620 0.78 PDE4B (0.43) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL17754275 0.77 MGLL (0.45) PDE4BMEN1KMT2AKDM4ENPC1
SCHEMBL8157358 0.77 HDAC1 (0.56) PDE4BMEN1KMT2AHDAC1HDAC2
SCHEMBL5183356 0.77 PDE4B (0.54) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL13311134 0.76 LTA4H (0.62) CYP1A2CYP3A4LTA4H
SCHEMBL8847629 0.76 PDE4B (0.49) PDE4BMEN1KMT2AKDM4EALDH1A1

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
CN-118206452-A Gingerol A prodrug compound and application thereof 陈玉松 2024-06-18 CN disclosed