SCHEMBL28724725

SCHEMBL28724725

CN(CC(=O)O)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
PIK3CD O00329 2/20 0.39
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL28724718 0.91 HDAC1 (0.36) HDAC1PIK3CDRAB9AKDM4EMEN1
SCHEMBL13209127 0.89 PIK3CD (0.50) PIK3CDRAB9AKDM4ENPC1LMNA
SCHEMBL12226514 0.85 PIK3CD (0.41) HDAC1PIK3CDRAB9AKDM4EMEN1
SCHEMBL12226512 0.85 PIK3CD (0.41) HDAC1PIK3CDRAB9AKDM4EMEN1
SCHEMBL28724691 0.84 TDP1 (0.37) KDM4ELMNAALDH1A1EYA2APP
Trifluoroacetic Acid SCHEMBL28724723 0.80 PIK3CD (0.42) PIK3CDRAB9AKDM4ENPC1ALDH1A1
SCHEMBL1513993 0.78
SCHEMBL28724715 0.77 PIK3CD (0.33) HDAC1PIK3CDRAB9AKDM4EMEN1
SCHEMBL21164893 0.76 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4323487 0.76 ALDH1A1 (0.47) ALDH1A1

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-114349748-A Indazole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2022-04-15 CN disclosed