SCHEMBL31498799

SCHEMBL31498799

CC(C)(C)OC(=O)NC1COc2c(Br)cccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 1/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4D Q6B0I6 1/20 0.34
BTK Q06187 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
SCHEMBL15565089 0.82 GAA (0.50) GAAEPHX2KMT2AMEN1NPC1
SCHEMBL15565087 0.82 GAA (0.50) GAAEPHX2KMT2AMEN1NPC1
SCHEMBL19828045 0.81 GAA (0.46) GAAEPHX2KMT2AMEN1NPC1
SCHEMBL30799332 0.80 GAA (0.52) GAAEPHX2KMT2AKDM1AMAOB
SCHEMBL31704461 0.80 GAA (0.44) GAAEPHX2KMT2ANPC1RAB9A
SCHEMBL21179064 0.80 GAA (0.44) GAAEPHX2KMT2ANPC1RAB9A
SCHEMBL21178544 0.80 GAA (0.44) GAAEPHX2KMT2ANPC1RAB9A
SCHEMBL30954237 0.80 GAA (0.47) GAAEPHX2KMT2AMEN1NPC1
SCHEMBL10011137 0.80 P2RX7 (0.37) NPC1P2RX7
SCHEMBL31498775 0.78 GAA (0.39) GAAEPHX2KMT2AKDM1AMAOB

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-2025092739-A1 DIHYDROBENZOFURAN DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江星浩澎博医药有限公司 2025-05-08 WO disclosed