SCHEMBL7597760

SCHEMBL7597760

O=CC(=CNCCN=Cc1cc(OCCCCCCCCCCCOC2CCCCO2)ccc1O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.35
GCGR P47871 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
P2RX3 P56373 2/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7598392 0.81 ALDH1A1 (0.35) NPC1RAB9ACA2
SCHEMBL7596824 0.77 MEN1 (0.60) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7597620 0.73 TP53 (0.36) NPC1RAB9ACA2
SCHEMBL12733861 0.66 MEN1 (0.82) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL20120491 0.66 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL224471 0.66 MEN1 (1.00) MEN1KMT2AHTT
SCHEMBL1531929 0.66 MEN1 (1.00) MEN1KMT2AHTT
SCHEMBL224651 0.66 MEN1 (1.00) MEN1KMT2AHTT
SCHEMBL29773894 0.66 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5044911 0.65 MEN1 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927155-B1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS QINETIQ LTD (GB) 2002-11-20 EP disclosed
US-6184322-B1 USED IN DISPLAY TECHNOLOGY, THIN FILM MAGNETIC MATERIALS FOR USE IN DATA STORAGE, LUBRICANTS AND ANISOTROPICALLY SUPPORTED CATALYSTS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-06 US disclosed
EP-0927155-A1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-07 EP disclosed
WO-1997049671-A1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-12-31 WO disclosed