SCHEMBL8074490

SCHEMBL8074490

C=Cc1cccc2c(C)c(C(=O)OCC)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
AHR P35869 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 4/20 0.44
MCL1 Q07820 1/20 0.43
PLK1 P53350 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
HIF1A Q16665 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3611351 0.80 RAB9A (0.67) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL8082611 0.80 KDM4E (0.51) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL8509407 0.78 KDM4E (0.53) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL73391 0.78 KDM4E (0.52) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL7051311 0.78 NPC1 (0.44) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL7051310 0.78 NPC1 (0.44) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL8082560 0.74 RAB9A (0.46) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL8083188 0.73 KDM4E (0.43) RAB9AKDM4ENPC1MAPTAHR
SCHEMBL719242 0.73 KDM4E (0.78) RAB9AKDM4ENPC1MAPTAHR
Hydrochloric Acid SCHEMBL8083185 0.72 KDM4E (0.42) RAB9AKDM4ENPC1MAPTAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed