SCHEMBL9533696

SCHEMBL9533696

Oc1cc(CCCCOC2CCCCO2)on1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
P2RX3 P56373 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TGFBR1 P36897 1/20 0.30
CHEK1 O14757 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL28490862 0.82 KDM4C (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1808138 0.76 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1220698 0.75 PPARA (0.43) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11024894 0.73 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL10680254 0.73 MEN1 (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL4152979 0.73 KDM4C (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL10682927 0.72 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL16376197 0.72 MEN1 (0.56) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1809242 0.72 NPC1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9670893 0.71 KDM4C (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1

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
EP-0251827-B1 NEW CYCLIC ETHER DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-09-15 EP disclosed
US-4891363-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY LIMITED (JP) 1990-01-02 US disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP disclosed