SCHEMBL3393686

SCHEMBL3393686

Brc1cccc(C=Cc2ccc(OCCOC3CCCCO3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNB4 P30926 7/20 0.39
CHRNA3 P32297 7/20 0.39
CHRNA10 Q9GZZ6 2/20 0.39
CHRNA9 Q9UGM1 2/20 0.39
LTA4H P09960 1/20 0.37
CHRNB2 P17787 6/20 0.37
CHRNA4 P43681 6/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL28667185 0.84 KDM4C (0.50) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7263741 0.81 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL12828031 0.80 MEN1 (0.41) CHRNA7MEN1KMT2AKDM4CNPC1
SCHEMBL7180157 0.79 ALDH1A1 (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7180161 0.79 ALDH1A1 (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL13170598 0.79 KMT2A (0.54) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2283591 0.79 MEN1 (0.53) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4119494 0.78 MEN1 (0.58) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL9381472 0.76 MEN1 (0.49) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4130417 0.76 MEN1 (0.48) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed